Merge branch 'wm-fix' into rc175: a wrong --model confirms no shell and fits no hand; wrong-model null as its own CI step; battery runs kept in the repository by machine role
Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
This commit is contained in:
Claude Opus 5.5
@@ -7,17 +7,20 @@ name: Validation Battery
|
||||
# /data/battery (scratch, kept reports, PDB/COD caches, the full-run lock) read-write. The site
|
||||
# config below names only the open and inhouse arms; the private arm is never run here.
|
||||
#
|
||||
# A ci-tier run also runs the wrong-model null (tools/battery/nullmodel.json: five sets, each without
|
||||
# --model and with five wrong models - other open-arm entries' deposited coordinates, from the PDB
|
||||
# cache under /data/battery - 30 more rugnux runs, about 6 minutes); its pass/fail table is a section of
|
||||
# report.md of its own and leaves the ci-tier rows untouched.
|
||||
# A ci-tier run is followed by the wrong-model null, as a step of its own with its own pass/fail
|
||||
# (battery.py nullmodel; tools/battery/nullmodel.json: five sets, each without --model and with five
|
||||
# wrong models - other open-arm entries' deposited coordinates, from the PDB cache under
|
||||
# /data/battery - 30 more rugnux runs, about 6 minutes), in a run directory and report of its own, so
|
||||
# the ci-tier rows are those of a run without it.
|
||||
#
|
||||
# The job fails when a ci-tier set fails on lattice or space group, crashes or has no input - in any
|
||||
# run that includes those sets, so a manual full run fails on them too - or when a wrong-model pair
|
||||
# fails (the data or a decision moved, or the wrong model was not recognised as wrong). Every other failure and every
|
||||
# metric is reported, not judged: read the table at the end of the battery step and the report.
|
||||
# Only each run's report.md and battery.log are kept: report.md in /data/battery/ci_reports, both as
|
||||
# the job's artifact; the run directory itself is scratch.
|
||||
# The battery step fails when a ci-tier set fails on lattice or space group, crashes or has no input -
|
||||
# in any run that includes those sets, so a manual full run fails on them too. The wrong-model step
|
||||
# fails when a pair fails (the data or a decision moved, or the wrong model was not recognised as
|
||||
# wrong). Each step runs whatever the other did, so the job page says which of the two failed. Every
|
||||
# other failure and every metric is reported, not judged: read the table at the end of each step and
|
||||
# the reports. Each run's report.md, results.json and manifest.json are kept, in
|
||||
# /data/battery/ci_reports/<run>/ and (with the log) as the job's artifact - what `battery.py keep`
|
||||
# needs to commit a run under tools/battery/results/; the run directories themselves are scratch.
|
||||
#
|
||||
# Runner side (/opt/gitea/config.yaml on that machine, then restart the runner):
|
||||
# runner.labels: + "jfjoch_battery:docker://gitea.psi.ch/leonarski_f/jfjoch_rocky8:2609"
|
||||
@@ -70,6 +73,7 @@ jobs:
|
||||
steps:
|
||||
- uses: actions/checkout@v4
|
||||
- name: Build rugnux
|
||||
id: build
|
||||
shell: bash
|
||||
run: |
|
||||
rm -rf build && mkdir build && cd build
|
||||
@@ -109,24 +113,42 @@ jobs:
|
||||
run: |
|
||||
set -o pipefail
|
||||
# ends with one line per set (rugnux / reference, a tick or cross on the space group);
|
||||
# exits non-zero when a ci-tier set failed
|
||||
# exits non-zero when a ci-tier set failed. The wrong-model null is the next step.
|
||||
JFJOCH_BATTERY_SITE=/tmp/site.json /tmp/bvenv/bin/python tools/battery/battery.py run \
|
||||
--rugnux build/rugnux/rugnux --build-dir build --label "$LABEL" \
|
||||
--rugnux build/rugnux/rugnux --build-dir build --label "$LABEL" --no-nullmodel \
|
||||
$SUBSET 2>&1 | tee battery.log
|
||||
- name: Wrong-model null
|
||||
if: ${{ !cancelled() && steps.build.outcome == 'success' && contains(env.SUBSET, '--tier ci') }}
|
||||
shell: bash
|
||||
run: |
|
||||
set -o pipefail
|
||||
# one line per pair; exits non-zero when a pair failed
|
||||
JFJOCH_BATTERY_SITE=/tmp/site.json /tmp/bvenv/bin/python tools/battery/battery.py nullmodel \
|
||||
--rugnux build/rugnux/rugnux --build-dir build --label "$LABEL-null" 2>&1 | tee nullmodel.log
|
||||
- name: Keep the report
|
||||
if: always()
|
||||
shell: bash
|
||||
run: |
|
||||
run=$(sed -n 's/^run directory //p' battery.log | head -1)
|
||||
[ -n "$run" ] && [ -f "$run/report.md" ] || { echo "no report"; exit 1; }
|
||||
mkdir -p battery_out /data/battery/ci_reports
|
||||
cp "$run/report.md" "battery_out/$(basename "$run").md"
|
||||
cp battery.log "battery_out/$(basename "$run").log"
|
||||
cp "$run/report.md" "/data/battery/ci_reports/$(basename "$run").md"
|
||||
# the report's own per-arm summary and failures, into the job log
|
||||
awk '/^## Summary/{p=1} /^### By population/{p=0} p' "$run/report.md"
|
||||
awk '/^### Failures/{p=1;print;next} /^### /{p=0} p' "$run/report.md"
|
||||
awk '/^## Wrong-model null/{p=1} /^## Summary/{p=0} p' "$run/report.md"
|
||||
missing=0
|
||||
for log in battery.log nullmodel.log; do
|
||||
[ -f "$log" ] || continue
|
||||
run=$(sed -n 's/^run directory //p' "$log" | head -1)
|
||||
[ -n "$run" ] && [ -f "$run/report.md" ] || { echo "no report for $log"; missing=1; continue; }
|
||||
# report.md, results.json and manifest.json as the battery wrote them: what
|
||||
# `battery.py keep` commits under tools/battery/results/<host>/<run>/
|
||||
name=$(basename "$run")
|
||||
mkdir -p "battery_out/$name" "/data/battery/ci_reports/$name"
|
||||
for f in report.md results.json manifest.json; do
|
||||
[ -f "$run/$f" ] && cp "$run/$f" "battery_out/$name/" && cp "$run/$f" "/data/battery/ci_reports/$name/"
|
||||
done
|
||||
cp "$log" "battery_out/$name/"
|
||||
# the report's own per-arm summary and failures, or the wrong-model table, into the job log
|
||||
awk '/^## Summary/{p=1} /^### By population/{p=0} p' "$run/report.md"
|
||||
awk '/^### Failures/{p=1;print;next} /^### /{p=0} p' "$run/report.md"
|
||||
awk '/^## Wrong-model null/{p=1} /^## Summary/{p=0} p' "$run/report.md"
|
||||
done
|
||||
exit $missing
|
||||
- name: Upload report
|
||||
if: always()
|
||||
uses: actions/upload-artifact@v3
|
||||
|
||||
@@ -180,7 +180,7 @@ a cut calibrated on one pair misjudges the next. In one measured arm an unrelate
|
||||
The only null that fits both the model and the data is therefore **made out of them**: the same model
|
||||
is re-oriented at random about its own centroid and run through the identical path — the same scaling,
|
||||
the same rigid-body placement, the same R — nine times, and the real fit is asked how far above the
|
||||
resulting distribution it sits (`MODEL_FIT_SIGMA`, accepted at 3σ). The replicates are placed as well
|
||||
resulting distribution it sits (`MODEL_FIT_SIGMA`, accepted at 4.51: see below). The replicates are placed as well
|
||||
as fitted, or the comparison would be between a placed model and unplaced nulls and the margin would
|
||||
be inflated by the placement rather than by the model. Measured on one rotation data set: the crystal's
|
||||
own model +15.0σ, an unrelated protein +1.8σ, and the correct model rigidly rotated 90° −1.0σ.
|
||||
@@ -217,7 +217,13 @@ The count is nine, and it is the *spread* that sets it rather than the mean: the
|
||||
sample that happens to come out narrow is what turns a model that does not fit into one that appears
|
||||
to. Measured on the case nearest the gate — an unrelated protein at 1.83σ against a threshold of 3 —
|
||||
the chance of reading over the gate on a different seed is 31 % at $n=3$, 17 % at $n=5$ and 6 % at
|
||||
$n=9$. Nine is affordable only because the replicates run at once: the null costs the slowest of them
|
||||
$n=9$. The gate itself allows for it: the intended cut is 3σ of the null (one-sided, 0.135 %), and a
|
||||
new draw from a null known only through $n$ draws lies $t_{n-1}\sqrt{1+1/n}$ sample sds above their
|
||||
mean at that probability — 4.51 for $n=9$. Read as if the sd were known, an unrelated helical protein
|
||||
on a helical crystal was accepted at +3.05 against nine draws; against 48 it read +2.09, and the best
|
||||
of the 48 random placements fitted as well as it did. The deposited models of the open arm read +7.0
|
||||
and up. The indexing lead (§14.6) stays at 3σ of its own null: it is only read for a model that has
|
||||
passed this gate, and the deposited models that settle an indexing lead by +4.2σ and up. Nine is affordable only because the replicates run at once: the null costs the slowest of them
|
||||
rather than their sum, and the slowest of nine is barely above the slowest of five.
|
||||
|
||||
The null costs one full fit and one rigid-body placement per replicate. The replicates share nothing
|
||||
|
||||
+19
-9
@@ -873,7 +873,7 @@ as usual.
|
||||
| `MODEL_FIT` | `ACCEPTED` \| `REJECTED` \| `NOT_TESTED` — whether the model may decide anything, or had nothing to decide |
|
||||
| `MODEL_FIT_STATISTIC` | What the verdict was taken on; `R_WORK` |
|
||||
| `MODEL_FIT_VALUE`, `MODEL_FIT_NULL_MEAN`, `MODEL_FIT_NULL_SD`, `MODEL_FIT_NULL_REPLICATES` | The real fit, and the null of the same model in random orientations. Absent when `NOT_TESTED` |
|
||||
| `MODEL_FIT_SIGMA` | The real fit above that null, in its standard deviations. Signed. Absent when `NOT_TESTED` |
|
||||
| `MODEL_FIT_SIGMA` | The real fit above that null, in its sample standard deviations. Signed. `ACCEPTED` from +4.51: 3 σ of the null, allowing for its mean and spread being estimated from nine draws (Student's t). Absent when `NOT_TESTED` |
|
||||
| `MODEL_DECISIONS_TAKEN` | `NONE` \| `ENANTIOMORPH` \| `INDEXING` \| `ENANTIOMORPH+INDEXING` |
|
||||
| `MODEL_ENANTIOMORPH_ADOPTED`, `MODEL_INDEXING_OPERATOR` | The two decisions individually; `x,y,z` is no reindexing |
|
||||
| `MODEL_CHANGE_OF_BASIS`, `MODEL_SETTING_AS_READ` | Present only where the model was written in another description of the lattice (other axes, other centring, or another point group) and was put into the data's to be scored. Where such a model fits, the data are then written in the model's setting instead (`SETTING_SOURCE=MODEL`) and these keys are absent, since the model no longer moves. An alternative indexing of the same point group is settled here only where a reference MTZ (`-z`) has already fixed the data's indexing; otherwise the data are reindexed into the model's, and that is `MODEL_INDEXING_OPERATOR` |
|
||||
@@ -933,19 +933,29 @@ observed value is the merged intensity itself rather than the French–Wilson |*
|
||||
that amplitude is a posterior mean under a Wilson prior, which pulls a weak reflection towards its
|
||||
shell mean and would show up as correlation in exactly the outer shells this number is read in.
|
||||
|
||||
Nothing here was refined against these reflections — the model is placed and scaled with eleven
|
||||
parameters — so there is no work/free distinction to draw: the correlation is unbiased on **all** the
|
||||
reflections of a shell, not only the few hundred free ones, and `SIGMA` is correspondingly sharp.
|
||||
The model is placed and scaled with eleven parameters, so there is no work/free distinction to draw:
|
||||
the correlation is formed on **all** the reflections of a shell, not only the few hundred free ones.
|
||||
Both sides are divided by the reflection's symmetry enhancement ε, which they share whatever the model.
|
||||
|
||||
| key | meaning |
|
||||
|---|---|
|
||||
| `CC_MODEL_OVERALL`, `CC_MODEL_REFLECTIONS` | The correlation over every reflection in the table, and how many — the `N` column sums to it. Like any overall correlation it is shell-weighted and can take any value between the best shell and the worst; the table is what to read |
|
||||
| `CC_MODEL_CONFIRMED_TO_D_MIN` | The finest shell whose correlation reaches 3 σ, or `NONE`. A **lower bound** on the useful resolution |
|
||||
| the `D_MIN / CC_MODEL / N / SIGMA` table | Per shell: the correlation, the reflections it was formed on, and how far above zero it sits (Fisher's transform, `atanh(CC)·√(N−3)`) |
|
||||
| `CC_MODEL_CONFIRMED_TO_D_MIN` | The finest shell that, together with the shell coarser than it, reaches 3 σ, or `NONE`. A **lower bound** on the useful resolution |
|
||||
| the `D_MIN / CC_MODEL / N / CC_NULL / SIGMA` table | Per shell: the correlation, the reflections it was formed on, its null, and how far above the null it sits |
|
||||
|
||||
**Read it in one direction only.** A shell whose correlation is significantly above zero carries
|
||||
signal — a model cannot agree by accident with measurements it was never fitted to — so
|
||||
`CC_MODEL_CONFIRMED_TO_D_MIN` is evidence for keeping *more* data. A shell whose correlation is near
|
||||
**The null.** A correlation above zero is not evidence on its own. The data and a scaled model share
|
||||
everything that is smooth in reciprocal space — the falloff across a shell, the anisotropic B (fitted
|
||||
to these very data) and the bulk solvent — whatever the model is, so the deposited model of an
|
||||
unrelated protein correlates with the data at 10–15 σ by Fisher's transform in most shells. `CC_NULL`
|
||||
is the correlation of the data at *h* with the model at *h* + *d*, averaged over the 26 nearest lattice
|
||||
offsets *d*: it keeps what is smooth and loses what the model knows of *h* itself. `SIGMA` is
|
||||
(atanh `CC_MODEL` − mean atanh) / sd over those 26, the sd never narrower than Fisher's 1/√(N−3). A
|
||||
shell confirms only beside a coarser shell that does as well: one shell alone clears 3 σ by chance
|
||||
among a dozen, while signal runs on over neighbouring shells.
|
||||
|
||||
**Read it in one direction only.** A shell whose correlation is significantly above its null carries
|
||||
signal the model accounts for reflection by reflection, so `CC_MODEL_CONFIRMED_TO_D_MIN` is evidence
|
||||
for keeping *more* data. A shell whose correlation is near
|
||||
zero says nothing about the data: the model may be incomplete, in the wrong hand, or simply wrong for
|
||||
this crystal, and cutting on it would be cutting because the model is poor. Nothing in the pipeline
|
||||
acts on these numbers; they are reported and no more. This is the same asymmetry cryo-EM works under,
|
||||
|
||||
@@ -142,7 +142,21 @@ constexpr int NULL_MAX_REDRAWS = 1000;
|
||||
// two on its own. Measured at nine replicates, the crystal's own model reads +17.7 sigma and an
|
||||
// unrelated protein +1.7, so the cut sits in a gap an order of magnitude wider than the sd it is
|
||||
// measured in.
|
||||
constexpr double MODEL_FIT_SIGMA = 3.0;
|
||||
//
|
||||
// The cut is 3 sigma of the null - one-sided, 0.135% - but the null's mean and sd are not known, only
|
||||
// estimated from NULL_REPLICATES draws, and the fit is one more draw. At the same probability that
|
||||
// draw lies t(n-1) * sqrt(1 + 1/n) sample sds above the sample mean: 4.28 * 1.054 = 4.51 for n = 9.
|
||||
// Read as if the sd were known, a narrow sample is what lets a model that does not fit through:
|
||||
// measured, an unrelated helical protein on a helical crystal read +3.05 against nine draws and +2.09
|
||||
// against 48, whose best random placement fitted as well as it did. Across the open arm the deposited
|
||||
// models read +7.0 and up.
|
||||
constexpr double MODEL_FIT_SIGMA = 4.51;
|
||||
|
||||
// The lead an indexing must take over its runner-up, in sd of the lead random placements take. It is
|
||||
// read only for a model that has already passed MODEL_FIT_SIGMA, so it is never all that stands between
|
||||
// a wrong model and a decision; across the open arm the deposited models that settle an indexing lead
|
||||
// by +4.2 sigma and up.
|
||||
constexpr double INDEXING_MARGIN_SIGMA = 3.0;
|
||||
|
||||
// The resolution the null and the real fit's side of it are scored to (see the null below), and the
|
||||
// fewest free reflections it may leave the indexing margin, which is read in R-free.
|
||||
@@ -778,11 +792,23 @@ ModelValidationResult Validate(const std::vector<MergedReflection> &merged,
|
||||
#ifdef JFJOCH_USE_CUDA
|
||||
std::unique_ptr<RigidBodyGPUPool> rigid_body_engines;
|
||||
if (rigid_body_gpu) {
|
||||
// Counted as the zones count them: by the resolution of the index once it is in the model's
|
||||
// ASU, under each indexing the data may be placed in. The model's group need not keep the
|
||||
// data's metric - a wrong model's cubic group on an orthorhombic cell sends h to an index of
|
||||
// another resolution - so the data's own d can put a reflection on the wrong side of the zone.
|
||||
const double finest_zone = RigidBodyLadder(d_min).back();
|
||||
size_t zone_observations = 0;
|
||||
for (const MergedReflection &r : obs)
|
||||
if (!std::isnan(r.F) && r.d >= finest_zone)
|
||||
++zone_observations;
|
||||
const gemmi::GroupOps zone_gops = sg->operations();
|
||||
const gemmi::ReciprocalAsu zone_asu(sg);
|
||||
auto in_finest_zone = [&](const std::vector<MergedReflection> &v) {
|
||||
size_t n = 0;
|
||||
for (const MergedReflection &r : v)
|
||||
if (!std::isnan(r.F) && ucell.calculate_d(zone_asu.to_asu({r.h, r.k, r.l}, zone_gops).first) >= finest_zone)
|
||||
++n;
|
||||
return n;
|
||||
};
|
||||
size_t zone_observations = in_finest_zone(obs);
|
||||
for (const gemmi::Op &law : reindex_ops)
|
||||
zone_observations = std::max(zone_observations, in_finest_zone(ReindexReflections(obs, law)));
|
||||
// One engine for the real model and one for each replicate of the null placed beside it.
|
||||
rigid_body_engines = RigidBodyGPUPool::Create(st.models[0], ucell, *sg, d_min, zone_observations,
|
||||
std::min<size_t>(std::max<size_t>(nthreads, 1), NULL_REPLICATES) + 1,
|
||||
@@ -1257,7 +1283,7 @@ ModelValidationResult Validate(const std::vector<MergedReflection> &merged,
|
||||
// The margin is judged against the margin a random placement produces, not against a value.
|
||||
// A random model also picks a winner, and on these data it picks one by a comparable lead
|
||||
// (measured), so the raw margin says nothing on its own.
|
||||
const bool decided = result.model_fits && result.indexing_margin_sigma >= MODEL_FIT_SIGMA;
|
||||
const bool decided = result.model_fits && result.indexing_margin_sigma >= INDEXING_MARGIN_SIGMA;
|
||||
result.indexing_decided = decided;
|
||||
if (decided)
|
||||
result.indexing_op = indexing.op;
|
||||
@@ -1399,7 +1425,39 @@ ModelValidationResult Validate(const std::vector<MergedReflection> &merged,
|
||||
return i;
|
||||
return report_shell_d_min.size();
|
||||
};
|
||||
// The correlation is formed on I/epsilon and |F_model|^2/epsilon: a reflection on a symmetry
|
||||
// element is enhanced by epsilon in the data and in the model alike, and that shared factor
|
||||
// is a correlation that any model in this group has, right or wrong.
|
||||
//
|
||||
// How far it sits above zero is NOT read off Fisher's transform alone. That transform treats
|
||||
// the reflections of a shell as independent pairs, and they are not: the data and the model
|
||||
// share the falloff across the shell, the anisotropic B (fitted to these very data) and the
|
||||
// bulk solvent, so an unrelated model correlates with them well above what N independent
|
||||
// pairs allow (measured: a wrong model of another protein reaches 10-15 sigma by Fisher's
|
||||
// transform in most shells). The null is therefore made empirically, on the same data and the
|
||||
// same model: the data at h against the model at h + d, for each of the 26 nearest lattice
|
||||
// offsets d. Everything smooth in reciprocal space - the radial falloff, the anisotropy, the
|
||||
// solvent - is the same at h and at h + d and stays in those correlations; what the model
|
||||
// knows of the structure factor at h itself does not. The shell's score is how far its
|
||||
// correlation sits above the mean of those 26, in units of their spread, never narrower than
|
||||
// Fisher's 1/sqrt(N - 3).
|
||||
struct OffsetSums {
|
||||
CorrelationCoefficient cc;
|
||||
int n = 0;
|
||||
};
|
||||
constexpr int OFFSETS = 26;
|
||||
std::vector<gemmi::Miller> offsets;
|
||||
for (int a = -1; a <= 1; a++)
|
||||
for (int b = -1; b <= 1; b++)
|
||||
for (int c = -1; c <= 1; c++)
|
||||
if (a != 0 || b != 0 || c != 0)
|
||||
offsets.push_back({a, b, c});
|
||||
std::unordered_map<long, double> model_i; // |F_model|^2 / epsilon, keyed in the model's ASU
|
||||
model_i.reserve(fmodel.v.size());
|
||||
for (const auto &hv : fmodel.v)
|
||||
model_i[hkl_key(hv.hkl)] = std::norm(hv.value) / gops.epsilon_factor(hv.hkl);
|
||||
std::vector<CorrelationCoefficient> shell_cc(report_shell_d_min.size());
|
||||
std::vector<std::array<OffsetSums, OFFSETS>> shell_offset(report_shell_d_min.size());
|
||||
std::vector<int> shell_n(report_shell_d_min.size(), 0);
|
||||
// Sums for the radial mismatch: the shell's mean observed intensity against the mean
|
||||
// intensity of the already-scaled model. See ModelDataCCShell::i_over_model.
|
||||
@@ -1415,23 +1473,41 @@ ModelValidationResult Validate(const std::vector<MergedReflection> &merged,
|
||||
if (bin >= shell_cc.size()) // finer than the finest shell the merge reported
|
||||
continue;
|
||||
const double Ic = std::norm(hv.value); // |F_model|^2
|
||||
shell_cc[bin].Add(it->second.I, Ic);
|
||||
const double eps = gops.epsilon_factor(hv.hkl);
|
||||
const double I = it->second.I / eps;
|
||||
shell_cc[bin].Add(I, Ic / eps);
|
||||
for (int o = 0; o < OFFSETS; o++) {
|
||||
const gemmi::Miller q{hv.hkl[0] + offsets[o][0], hv.hkl[1] + offsets[o][1], hv.hkl[2] + offsets[o][2]};
|
||||
const auto m = model_i.find(hkl_key(asu.to_asu(q, gops).first));
|
||||
if (m == model_i.end())
|
||||
continue;
|
||||
shell_offset[bin][o].cc.Add(I, m->second);
|
||||
++shell_offset[bin][o].n;
|
||||
}
|
||||
shell_sum_I[bin] += it->second.I;
|
||||
shell_sum_Im[bin] += Ic;
|
||||
++shell_n[bin];
|
||||
overall_cc.Add(it->second.I, Ic);
|
||||
overall_cc.Add(I, Ic / eps);
|
||||
++overall_n;
|
||||
}
|
||||
// Fisher's transform against a null of zero correlation. Below four reflections there is no
|
||||
// score to give, and a correlation of exactly +-1 has no finite one.
|
||||
auto fisher_sigma = [](double cc, int n) {
|
||||
return (n > 3 && std::fabs(cc) < 1.0) ? std::atanh(cc) * std::sqrt(n - 3.0) : NAN;
|
||||
};
|
||||
result.cc_model_shells.reserve(report_shell_d_min.size());
|
||||
for (size_t i = 0; i < report_shell_d_min.size(); i++) {
|
||||
const double cc = shell_cc[i].GetCC();
|
||||
result.cc_model_shells.push_back({report_shell_d_min[i], cc, shell_n[i],
|
||||
fisher_sigma(cc, shell_n[i]),
|
||||
std::vector<double> z_null;
|
||||
for (const OffsetSums &o : shell_offset[i]) {
|
||||
const double c = o.cc.GetCC();
|
||||
if (o.n > 3 && std::fabs(c) < 1.0)
|
||||
z_null.push_back(std::atanh(c));
|
||||
}
|
||||
double sigma = NAN, cc_null = NAN;
|
||||
// Below four reflections there is no score to give, and a correlation of exactly +-1 has
|
||||
// no finite one.
|
||||
if (shell_n[i] > 3 && std::fabs(cc) < 1.0 && z_null.size() >= 2) {
|
||||
const auto [z_mean, z_sd] = mean_sd(z_null);
|
||||
cc_null = std::tanh(z_mean);
|
||||
sigma = (std::atanh(cc) - z_mean) / std::max(z_sd, 1.0 / std::sqrt(shell_n[i] - 3.0));
|
||||
}
|
||||
result.cc_model_shells.push_back({report_shell_d_min[i], cc, shell_n[i], sigma, cc_null,
|
||||
shell_sum_Im[i] > 0.0 ? shell_sum_I[i] / shell_sum_Im[i] : NAN});
|
||||
}
|
||||
result.cc_model_overall = overall_cc.GetCC();
|
||||
|
||||
@@ -80,23 +80,32 @@ struct ModelValidationResult {
|
||||
// posterior mean under a Wilson prior, which pulls a weak reflection towards its shell mean, and
|
||||
// that is a correlation with the prior in exactly the outer shells this statistic is read in.
|
||||
//
|
||||
// Nothing was refined against these reflections - the model is placed and scaled with a handful of
|
||||
// parameters - so there is no free/work distinction to make here: the correlation is unbiased on
|
||||
// all of them, which is worth having, because the free set alone in an outer shell is a few
|
||||
// hundred reflections and the correlation on it correspondingly noisy.
|
||||
// The model is placed and scaled with a handful of parameters, so there is no free/work
|
||||
// distinction to make here and the correlation is formed on all the reflections: the free set
|
||||
// alone in an outer shell is a few hundred reflections and the correlation on it correspondingly
|
||||
// noisy.
|
||||
//
|
||||
// The test it supports is ONE-SIDED. A correlation significantly above zero in a shell proves the
|
||||
// shell carries signal, because a model cannot invent agreement with measurements it never saw, so
|
||||
// it is evidence that a resolution limit could be pushed OUTWARDS. A correlation near zero proves
|
||||
// nothing at all - the model may be the thing at fault - and must never pull a limit in.
|
||||
// The test it supports is ONE-SIDED. A correlation significantly above its null in a shell is
|
||||
// evidence that the shell carries signal, so it argues that a resolution limit could be pushed
|
||||
// OUTWARDS. A correlation near zero proves nothing at all - the model may be the thing at fault -
|
||||
// and must never pull a limit in. "Significantly" is the hard part: the data and a scaled model
|
||||
// agree in everything smooth in reciprocal space - the falloff across a shell, the anisotropic B
|
||||
// that was fitted to these data, the bulk solvent - whatever the model is, so a model of an
|
||||
// unrelated protein correlates with them far beyond what independent reflections allow. The
|
||||
// null is made from the same data and model for that reason (see sigma below).
|
||||
struct ModelDataCCShell {
|
||||
float d_min = 0.0f; // the shell's high-resolution bound, as the merge table labels its rows
|
||||
double cc = NAN;
|
||||
int n = 0; // reflections the correlation was formed from
|
||||
// How far the correlation sits above zero, as a Fisher-z score: atanh(cc)*sqrt(n-3). Intensities
|
||||
// are not bivariate normal, so this is the same approximation XDS makes when it calls a shell's
|
||||
// CC1/2 significant, and it is a guide to the strength of the claim rather than an exact p.
|
||||
// How far the correlation sits above its null, in Fisher-z: the null is the correlation of the
|
||||
// data at h with the model at h + d for the 26 nearest lattice offsets d, which keeps
|
||||
// everything the two share smoothly in reciprocal space and loses what the model knows of h
|
||||
// itself. sigma = (atanh(cc) - mean) / sd over those 26, the sd never narrower than Fisher's
|
||||
// 1/sqrt(n-3). A guide to the strength of the claim rather than an exact p.
|
||||
double sigma = NAN;
|
||||
// The correlation those offset pairs reach on average: what an unrelated model scaled to these
|
||||
// data would show in this shell.
|
||||
double cc_null = NAN;
|
||||
// The shell's mean merged intensity over the mean |F_model|^2 of the SCALED model - the model
|
||||
// having already been given an overall scale, an anisotropic B and a bulk solvent fitted over
|
||||
// the whole range. That family is smooth and nearly exponential in s^2, so it can follow a
|
||||
|
||||
+28
-16
@@ -2375,14 +2375,17 @@ ReportDocument BuildReportDocument(const std::string &output_prefix,
|
||||
if (!mv.cc_model_shells.empty()) {
|
||||
Add(s, KeyReal("CC_MODEL_OVERALL", mv.cc_model_overall, "{:.4f}"));
|
||||
Add(s, KeyInt("CC_MODEL_REFLECTIONS", mv.cc_model_n));
|
||||
// The finest shell in which the model confirms signal, at the significance XDS calls a
|
||||
// shell's CC1/2 established at. A LOWER BOUND on the useful resolution and nothing else:
|
||||
// shells past it are not thereby empty, only unconfirmed by this model.
|
||||
// The finest shell in which the model confirms signal: it and the shell coarser than it
|
||||
// both 3 sigma above their null. One shell alone clears that by chance among a dozen
|
||||
// (measured on wrong models: once in 216 shells), while signal runs on over neighbouring
|
||||
// shells. A LOWER BOUND on the useful resolution and nothing else: shells past it are not
|
||||
// thereby empty, only unconfirmed by this model.
|
||||
constexpr double CC_MODEL_SIGNIFICANT = 3.0;
|
||||
float confirmed = 0.0f;
|
||||
for (const auto &sh : mv.cc_model_shells)
|
||||
if (sh.sigma >= CC_MODEL_SIGNIFICANT)
|
||||
confirmed = sh.d_min;
|
||||
for (size_t i = 1; i < mv.cc_model_shells.size(); i++)
|
||||
if (mv.cc_model_shells[i].sigma >= CC_MODEL_SIGNIFICANT
|
||||
&& mv.cc_model_shells[i - 1].sigma >= CC_MODEL_SIGNIFICANT)
|
||||
confirmed = mv.cc_model_shells[i].d_min;
|
||||
if (confirmed > 0.0f)
|
||||
Add(s, KeyReal("CC_MODEL_CONFIRMED_TO_D_MIN", confirmed, "{:.2f}"));
|
||||
else
|
||||
@@ -2453,8 +2456,12 @@ ReportDocument BuildReportDocument(const std::string &output_prefix,
|
||||
Add(s, Blank());
|
||||
Add(s, Prose(" CC(model, data): the correlation of the merged intensities with the placed, scaled\n"
|
||||
" model's |F_model|^2, on the same shells the merge table above reports, so a row here\n"
|
||||
" can be read straight across from that shell's CC1/2. SIGMA is how far the correlation\n"
|
||||
" sits above zero (Fisher's transform on N reflections). I/I_MODEL is the shell's\n"
|
||||
" can be read straight across from that shell's CC1/2, both on I/epsilon. CC_NULL is what\n"
|
||||
" the same data reach against the model at the 26 neighbouring lattice points - what\n"
|
||||
" any model scaled to these data shares with them, through the falloff, the anisotropic\n"
|
||||
" B and the solvent - and SIGMA is how far CC_MODEL sits above it, in units of its\n"
|
||||
" spread over the 26 (Fisher's transform, never narrower than on N independent\n"
|
||||
" reflections). I/I_MODEL is the shell's\n"
|
||||
" mean merged intensity over the model's, AFTER the model has been given its own\n"
|
||||
" overall scale, anisotropic B and bulk solvent - so it reads 1.000 where the two\n"
|
||||
" agree on how the data fall off with resolution, and drifts away from 1.000 where\n"
|
||||
@@ -2462,14 +2469,15 @@ ReportDocument BuildReportDocument(const std::string &output_prefix,
|
||||
" set of symmetry equivalents; R_meas, CC1/2 and chi^2 all cancel one.\n"));
|
||||
ReportEntry e;
|
||||
e.kind = ReportEntry::Kind::Table;
|
||||
e.table.columns = {"D_MIN", "CC_MODEL", "N", "SIGMA", "I_OVER_MODEL"};
|
||||
e.table.text_header = " D_MIN CC_MODEL N SIGMA I/I_MODEL\n"
|
||||
" -------- -------- --------- -------- ---------";
|
||||
e.table.columns = {"D_MIN", "CC_MODEL", "N", "CC_NULL", "SIGMA", "I_OVER_MODEL"};
|
||||
e.table.text_header = " D_MIN CC_MODEL N CC_NULL SIGMA I/I_MODEL\n"
|
||||
" -------- -------- --------- -------- -------- ---------";
|
||||
for (const auto &sh : mv.cc_model_shells) {
|
||||
if (sh.n == 0)
|
||||
continue;
|
||||
e.table.text_rows.push_back(fmt::format(
|
||||
" {:8.2f} {:8.4f} {:9d} {:>8s} {:>9s}", sh.d_min, sh.cc, sh.n,
|
||||
" {:8.2f} {:8.4f} {:9d} {:>8s} {:>8s} {:>9s}", sh.d_min, sh.cc, sh.n,
|
||||
std::isfinite(sh.cc_null) ? fmt::format("{:.4f}", sh.cc_null) : std::string("-"),
|
||||
std::isfinite(sh.sigma) ? fmt::format("{:+.1f}", sh.sigma) : std::string("-"),
|
||||
std::isfinite(sh.i_over_model) ? fmt::format("{:.3f}", sh.i_over_model)
|
||||
: std::string("-")));
|
||||
@@ -2477,16 +2485,20 @@ ReportDocument BuildReportDocument(const std::string &output_prefix,
|
||||
row.push_back(KeyReal("", sh.d_min, "{:.2f}").value);
|
||||
row.push_back(KeyReal("", sh.cc, "{:.4f}").value);
|
||||
row.push_back(KeyInt("", sh.n).value);
|
||||
row.push_back(KeyReal("", sh.cc_null, "{:.4f}").value);
|
||||
row.push_back(KeyReal("", sh.sigma, "{:+.1f}").value);
|
||||
row.push_back(KeyReal("", sh.i_over_model, "{:.3f}").value);
|
||||
e.table.cells.push_back(std::move(row));
|
||||
}
|
||||
Add(s, std::move(e));
|
||||
Add(s, Prose("\n"
|
||||
" The table reads in ONE direction only. A shell whose correlation is significantly\n"
|
||||
" above zero carries signal, because a model cannot agree by accident with measurements\n"
|
||||
" it was never fitted to, so CC_MODEL_CONFIRMED_TO_D_MIN is a lower bound on the useful\n"
|
||||
" resolution and an argument for keeping MORE data. A shell whose correlation is near\n"
|
||||
" The table reads in ONE direction only. A correlation well above zero is no evidence\n"
|
||||
" on its own: a model of an unrelated protein, scaled to these data, correlates with\n"
|
||||
" them too, through everything the two share smoothly across a shell - which is what\n"
|
||||
" CC_NULL measures. A shell whose correlation sits significantly above its null, beside\n"
|
||||
" a coarser shell that does as well, carries signal the model accounts for reflection by\n"
|
||||
" reflection, so CC_MODEL_CONFIRMED_TO_D_MIN is a lower bound on the useful resolution\n"
|
||||
" and an argument for keeping MORE data. A shell whose correlation is near\n"
|
||||
" zero says nothing about the data: the model may be incomplete, in the wrong hand or\n"
|
||||
" simply wrong for this crystal, and cutting data on it would be cutting because the\n"
|
||||
" model is poor. Nothing in the pipeline acts on these numbers."));
|
||||
|
||||
@@ -76,9 +76,9 @@ ATOM 2 C . CB GLY A 1 12.000 14.000 16.000 1.00 20.00
|
||||
// The same cell in a polar group: b is the unique axis, so the origin is free along y alone.
|
||||
const char *kPolarCryst = "CRYST1 30.000 34.000 38.000 90.00 90.00 90.00 P 1 2 1 2\n";
|
||||
|
||||
std::string ClusterPdb(const char *cryst = kCryst) {
|
||||
std::string ClusterPdb(const char *cryst = kCryst, unsigned seed = 20260902) {
|
||||
std::string pdb = cryst;
|
||||
std::mt19937 rng(20260902);
|
||||
std::mt19937 rng(seed);
|
||||
std::uniform_real_distribution<double> x(2, 14), y(2, 16), z(2, 18);
|
||||
char line[96];
|
||||
for (int i = 1; i <= 150; i++) {
|
||||
@@ -720,6 +720,79 @@ TEST_CASE("ModelValidation_CCModelFollowsTheSignalByShell", "[ModelValidation]")
|
||||
|
||||
// The model path's structure factors come from FFTW; they must be gemmi's own transform to float
|
||||
// precision, in the same layout, so prepare_asu_data() reads the same reflections from either.
|
||||
|
||||
// A wrong model may come in a group that does not keep the data's metric - a cubic group on an
|
||||
// orthorhombic cell - and then its ASU holds an observation at another resolution than the data's own:
|
||||
// more of them land inside the rigid body's finest zone than the data put there. The GPU engines are
|
||||
// reserved for the zone as it is counted, so the validation runs instead of failing on the device.
|
||||
TEST_CASE("ModelValidation_WrongModelInAGroupOffTheDataMetric", "[ModelValidation]") {
|
||||
Logger logger("ModelValidation_WrongModelInAGroupOffTheDataMetric");
|
||||
const auto data_path = WriteTemp("off_metric_data.pdb", ClusterPdb().c_str());
|
||||
const auto wrong_path = WriteTemp("off_metric_wrong.pdb",
|
||||
ClusterPdb("CRYST1 40.000 40.000 40.000 90.00 90.00 90.00 I 21 3 24\n", 7).c_str());
|
||||
auto obs = ModelReferenceIntensities(data_path, {}, {}, 2.0, logger);
|
||||
REQUIRE(obs.size() > 1000);
|
||||
for (size_t i = 0; i < obs.size(); i++) {
|
||||
obs[i].sigma = std::max(1.0f, 0.05f * obs[i].I);
|
||||
obs[i].F = std::sqrt(std::max(0.0f, obs[i].I));
|
||||
obs[i].rfree_flag = (i % 20) == 0;
|
||||
}
|
||||
const std::string prefix = (std::filesystem::temp_directory_path() / "off_metric_test").string();
|
||||
const auto result =
|
||||
ValidateAgainstModel(obs, UnitCell{.a = 30, .b = 34, .c = 38, .alpha = 90, .beta = 90, .gamma = 90},
|
||||
wrong_path, prefix, logger, gemmi::find_spacegroup_by_name("P 21 21 21"));
|
||||
CHECK(result.ok);
|
||||
CHECK(!result.adopted_model_enantiomorph);
|
||||
|
||||
for (const char *suffix : {"_2fofc.ccp4", "_fofc.ccp4", "_anom.ccp4", "_maps.mtz"})
|
||||
std::filesystem::remove(prefix + suffix);
|
||||
std::filesystem::remove(data_path);
|
||||
std::filesystem::remove(wrong_path);
|
||||
}
|
||||
|
||||
// A model of something else entirely, scaled to the data, shares their falloff across every shell, and
|
||||
// by Fisher's transform on independent reflections that alone reads as a significant correlation. Against
|
||||
// the null of the data at h with the model at h + d - which shares the falloff too - it must not.
|
||||
TEST_CASE("ModelValidation_CCModelUnrelatedModelConfirmsNothing", "[ModelValidation]") {
|
||||
Logger logger("ModelValidation_CCModelUnrelatedModelConfirmsNothing");
|
||||
const auto data_path = WriteTemp("cc_null_data.pdb", ClusterPdb().c_str());
|
||||
const auto wrong_path = WriteTemp("cc_null_wrong.pdb", ClusterPdb(kCryst, 7).c_str());
|
||||
auto obs = ModelReferenceIntensities(data_path, {}, {}, 2.0, logger);
|
||||
std::erase_if(obs, [](const MergedReflection &r) { return r.d > 8.0f; });
|
||||
REQUIRE(obs.size() > 1000);
|
||||
for (size_t i = 0; i < obs.size(); i++) {
|
||||
// An anisotropic falloff, B 30 A^2 more along a* than along b* and c*: the validation fits an
|
||||
// anisotropic B to the data and puts it on the model, whatever the model is.
|
||||
const double s_a = obs[i].h / 30.0;
|
||||
obs[i].I = static_cast<float>(obs[i].I * std::exp(-30.0 * s_a * s_a / 2.0));
|
||||
obs[i].sigma = std::max(1.0f, 0.05f * obs[i].I);
|
||||
obs[i].F = std::sqrt(std::max(0.0f, obs[i].I));
|
||||
obs[i].rfree_flag = (i % 20) == 0;
|
||||
}
|
||||
const std::vector<float> shells{4.0f, 3.0f, 2.5f, 2.2f, 2.0f};
|
||||
const std::string prefix = (std::filesystem::temp_directory_path() / "cc_null_test").string();
|
||||
const auto result =
|
||||
ValidateAgainstModel(obs, UnitCell{.a = 30, .b = 34, .c = 38, .alpha = 90, .beta = 90, .gamma = 90},
|
||||
wrong_path, prefix, logger, gemmi::find_spacegroup_by_name("P 21 21 21"),
|
||||
/*probe_indexing_ambiguity=*/false, 1, 1.0, shells);
|
||||
REQUIRE(result.ok);
|
||||
REQUIRE(result.cc_model_shells.size() == shells.size());
|
||||
double fisher_max = 0;
|
||||
for (const auto &sh : result.cc_model_shells) {
|
||||
const double fisher = std::atanh(sh.cc) * std::sqrt(sh.n - 3.0);
|
||||
fisher_max = std::max(fisher_max, fisher);
|
||||
logger.Info("unrelated model {:.2f} A: CC {:.3f} (null {:.3f}) on {}: {:+.1f} sigma, {:+.1f} by Fisher alone",
|
||||
sh.d_min, sh.cc, sh.cc_null, sh.n, sh.sigma, fisher);
|
||||
CHECK(sh.sigma < 3.0);
|
||||
}
|
||||
// The trap is there: on independent reflections some shell would have read as significant.
|
||||
CHECK(fisher_max > 3.0);
|
||||
|
||||
for (const char *suffix : {"_2fofc.ccp4", "_fofc.ccp4", "_anom.ccp4", "_maps.mtz"})
|
||||
std::filesystem::remove(prefix + suffix);
|
||||
std::filesystem::remove(data_path);
|
||||
std::filesystem::remove(wrong_path);
|
||||
}
|
||||
TEST_CASE("ModelValidation_MapToFPhiMatchesGemmi", "[ModelValidation]") {
|
||||
// An even grid, and an odd one on every axis (FFTW and pocketfft split odd lengths differently).
|
||||
const auto size = GENERATE(std::array<int, 3>{20, 24, 30}, std::array<int, 3>{15, 21, 27});
|
||||
|
||||
@@ -461,10 +461,11 @@ TEST_CASE("ResultReport_ModelValidationSection", "[Diagnostics]") {
|
||||
CHECK(untested_text.find("was tried and REJECTED") == std::string::npos);
|
||||
|
||||
// CC(model, data) by shell, with the deepest shell short of significance: the confirmed limit is
|
||||
// the last shell that reached it, and it is a lower bound - the shell past it is not thereby empty.
|
||||
// the last shell that reached it beside a coarser one that did, and it is a lower bound - the
|
||||
// shell past it is not thereby empty.
|
||||
ModelValidationResult with_cc = good;
|
||||
with_cc.cc_model_shells = {{3.20f, 0.9412, 4210, 91.4}, {2.10f, 0.5533, 3980, 40.2},
|
||||
{1.80f, 0.0412, 2110, 1.9}};
|
||||
with_cc.cc_model_shells = {{3.20f, 0.9412, 4210, 41.4, 0.1211}, {2.10f, 0.5533, 3980, 20.2, 0.0832},
|
||||
{1.80f, 0.0412, 2110, 1.9, 0.0105}};
|
||||
with_cc.cc_model_overall = 0.8123;
|
||||
with_cc.cc_model_n = 10300;
|
||||
result.model_validation = with_cc;
|
||||
@@ -472,8 +473,8 @@ TEST_CASE("ResultReport_ModelValidationSection", "[Diagnostics]") {
|
||||
CHECK(cc_text.find("\nCC_MODEL_OVERALL= 0.8123\n") != std::string::npos);
|
||||
CHECK(cc_text.find("\nCC_MODEL_REFLECTIONS= 10300\n") != std::string::npos);
|
||||
CHECK(cc_text.find("\nCC_MODEL_CONFIRMED_TO_D_MIN= 2.10\n") != std::string::npos);
|
||||
CHECK(cc_text.find("D_MIN CC_MODEL N SIGMA") != std::string::npos);
|
||||
CHECK(cc_text.find(" 1.80 0.0412 2110 +1.9") != std::string::npos);
|
||||
CHECK(cc_text.find("D_MIN CC_MODEL N CC_NULL SIGMA") != std::string::npos);
|
||||
CHECK(cc_text.find(" 1.80 0.0412 2110 0.0105 +1.9") != std::string::npos);
|
||||
CHECK(cc_text.find("The table reads in ONE direction only") != std::string::npos);
|
||||
|
||||
// The comparable R rides on the same shells. R_WORK and R_FREE are what they always were - the
|
||||
@@ -510,6 +511,14 @@ TEST_CASE("ResultReport_ModelValidationSection", "[Diagnostics]") {
|
||||
CHECK(RenderResultReport("p", "in.h5", x, result)
|
||||
.find("\nCC_MODEL_CONFIRMED_TO_D_MIN= NONE\n") != std::string::npos);
|
||||
|
||||
// One shell over the bar on its own, its neighbours not: chance among a dozen shells, not signal.
|
||||
ModelValidationResult lone = with_cc;
|
||||
lone.cc_model_shells[0].sigma = 0.4;
|
||||
lone.cc_model_shells[1].sigma = 5.7;
|
||||
result.model_validation = lone;
|
||||
CHECK(RenderResultReport("p", "in.h5", x, result)
|
||||
.find("\nCC_MODEL_CONFIRMED_TO_D_MIN= NONE\n") != std::string::npos);
|
||||
|
||||
result.model_validation = good;
|
||||
|
||||
ModelValidationResult failed;
|
||||
|
||||
+32
-5
@@ -245,6 +245,7 @@ R=build/rugnux/rugnux
|
||||
$B run --rugnux $R # full battery: open + inhouse
|
||||
$B run --rugnux $R --tier smoke # 21 sets covering readers, symmetry, known hard cases
|
||||
$B run --rugnux $R --tier ci # 26 sets every recent release passed (CI, below), plus the wrong-model null
|
||||
$B nullmodel --rugnux $R # the wrong-model null on its own (CI's second step)
|
||||
$B run --rugnux $R --only 5reo,lyso_ref # named sets
|
||||
$B run --rugnux $R --arm private # the private arm, on its own
|
||||
```
|
||||
@@ -297,13 +298,14 @@ run's crash shows as one too.
|
||||
a ci-tier set in the run failed - a wrong lattice or space group, a timeout or a missing input - or
|
||||
when a pair of the wrong-model null (below) failed, and names those sets. This holds in any run that includes them (`--tier ci`, a full run, `--only` naming
|
||||
one), so a red CI job means the same thing whichever run it started. Nothing else fails a run: other
|
||||
sets' failures and every metric are reported, not judged.
|
||||
sets' failures and every metric are reported, not judged. CI runs the two as separate steps -
|
||||
`run --tier ci --no-nullmodel`, then `nullmodel` - so the job page shows which of them failed.
|
||||
|
||||
### The wrong-model null (with every ci-tier run)
|
||||
|
||||
`--model` must not change the processing, and a model that does not belong to the crystal must be
|
||||
recognised as not belonging. Every `--tier ci` run (and any run given `--nullmodel`) therefore also
|
||||
runs the sets of `nullmodel.json` once without `--model` and once with each of five WRONG models,
|
||||
recognised as not belonging. Every `--tier ci` run (and any run given `--nullmodel`; not one given
|
||||
`--no-nullmodel`) therefore also runs the sets of `nullmodel.json` once without `--model` and once with each of five WRONG models,
|
||||
and scores every wrong-model run against the no-model run of the same set (`nullmodel.py`):
|
||||
|
||||
- **(a) data**: `p.hkl` byte for byte; the `p.mtz` reflections value for value (space group, cell,
|
||||
@@ -315,7 +317,8 @@ and scores every wrong-model run against the no-model run of the same set (`null
|
||||
- **(c) a proper null**: `MODEL_FIT` is not `ACCEPTED` (`REJECTED`: the fit is no better than the same
|
||||
model in random orientations; `NOT_TESTED`: the model claimed no hand, indexing or setting, so no
|
||||
null was needed), `MODEL_DECISIONS_TAKEN` is `NONE` with no enantiomorph adopted,
|
||||
`CC_MODEL_CONFIRMED_TO_D_MIN` is `NONE`, and `R_FREE` sits where a random structure's does -
|
||||
`CC_MODEL_CONFIRMED_TO_D_MIN` is `NONE` (measured against its empirical null, see
|
||||
docs/RUGNUX_REPORT.md), and `R_FREE` sits where a random structure's does -
|
||||
0.586 for acentric reflections, 0.828 for centric (Wilson 1950); the scale, anisotropic B, bulk
|
||||
solvent and rigid body fitted on the working set can take only a few points off that, so the
|
||||
test is `R_FREE >= 0.50`.
|
||||
@@ -337,7 +340,9 @@ every model's size, identity, Q-score and reason. 9jq9 is NOT usable as a wrong
|
||||
is the same protein.
|
||||
|
||||
The pairs go to `nullmodel_results.json` in the run directory and to a **Wrong-model null** section
|
||||
at the top of the report; the sets' own rows in `results.json` are those of the run without it. It
|
||||
at the top of the report; the sets' own rows in `results.json` are those of the run without it.
|
||||
`battery.py nullmodel` runs the step alone, in a run directory of its own whose report is that section,
|
||||
and exits with status 1 when a pair failed. It
|
||||
adds 30 rugnux runs, about 6 minutes of rugnux on the RTX 5080 (measured: 6.1 min of WALL_TIME).
|
||||
|
||||
### Stress: hunting crashes that do not reproduce
|
||||
@@ -705,6 +710,28 @@ whole range; the manifest keeps the rule used as `dmin_rule`.
|
||||
manifest, so runs made before the rename still compare set by set. Without `--write`, the
|
||||
command only shows the result and flags inputs that do not exist.
|
||||
|
||||
## Kept results
|
||||
|
||||
Run directories are scratch: they live under the site's `runs_root` (on CI, deleted after the job).
|
||||
A run worth citing - a release's full battery, the runs a paper figure is drawn from - is kept in the
|
||||
repository under `results/<role>/<run>/`: its `report.md`, `results.json` and `manifest.json` exactly as
|
||||
the battery wrote them, nothing regenerated. `<role>` names the machine: `workstation` (1 socket, RTX
|
||||
5080) or `server` (4 sockets, 4x T4); the files themselves record its host and hardware.
|
||||
|
||||
```
|
||||
$B keep 20261011-1440_57fef1_rc175-57fef1c-full --as workstation # a run under runs_root, or a path to one
|
||||
```
|
||||
|
||||
`keep` copies what the run directory has, reading the run name from its report. It keeps open and
|
||||
in-house runs only: a run whose manifest marks it private, whose report is `report_PRIVATE.md` or
|
||||
says PRIVATE ARM, or with any arm or row outside `open` and `inhouse`, is refused. Check the files for
|
||||
private-arm names before committing all the same. The CI job leaves the three files of every run in
|
||||
`/data/battery/ci_reports/<run>/` and in its artifact, so a run on either machine can be kept from
|
||||
there. `paper_plots.py` finds a kept run by its name, after `runs_root`.
|
||||
|
||||
Kept so far: the rc175 full battery on the workstation (`20261011-1440_57fef1_rc175-57fef1c-full`) and
|
||||
on the server (`20261011-1236_549939_1.0.0-rc.175`).
|
||||
|
||||
## Figures for publication
|
||||
|
||||
`paper_plots.py RUN [RUN-REDO ...] --out DIR [--time-runs RUN ...] [--uncontended RUN] [--rfree refined|first-cycle]`
|
||||
|
||||
@@ -13,8 +13,15 @@ Arms and where their truth comes from:
|
||||
Usage (README.md in this directory is the full guide):
|
||||
battery.py run --rugnux BIN [--label L] [--arm open,inhouse|private] [--only a,b | --tier smoke|ci]
|
||||
[--build-dir DIR] [--gpulock] [--threads N]
|
||||
[--model-check] [--nullmodel] [--baseline RUN|none]
|
||||
[--model-check] [--nullmodel | --no-nullmodel] [--baseline RUN|none]
|
||||
--tier ci also runs the wrong-model null (nullmodel.py)
|
||||
battery.py nullmodel --rugnux BIN [--label L] [--build-dir DIR] [--gpulock] [--threads N]
|
||||
the wrong-model null on its own, in a run directory of
|
||||
its own: exit 1 if a pair failed (CI runs it as its own
|
||||
step, after run --tier ci --no-nullmodel)
|
||||
battery.py keep RUN --as workstation|server copy a finished open/inhouse run's report.md, results.json
|
||||
and manifest.json into results/<role>/<run>/ (committed);
|
||||
refuses a private run
|
||||
battery.py stress --rugnux BIN (--only a,b | --tier T) [--repeat N] [--concurrent K]
|
||||
[--sanitizer memcheck|racecheck|synccheck|initcheck] [--launch-blocking]
|
||||
crash hunt: exit 1 if any run crashed
|
||||
@@ -578,6 +585,7 @@ def run_sets(site, sets, arms, binary_src, build_dir, label, opts, subset, basel
|
||||
print(f"run directory {run_dir}", flush=True)
|
||||
|
||||
results = []
|
||||
write_json(os.path.join(run_dir, "results.json"), results)
|
||||
# a kill by SIGTERM is recorded like Ctrl-C: the run directory then says it was aborted
|
||||
signal.signal(signal.SIGTERM, interrupted)
|
||||
try:
|
||||
@@ -643,7 +651,7 @@ def cmd_run(a, site):
|
||||
"gpulock": site["gpulock"] if a.gpulock else None, "extra_args": a.extra.split(),
|
||||
"runs_root": a.runs_root or site["runs_root"],
|
||||
# the wrong-model null rides along with every ci-tier run (and any run that asks for it)
|
||||
"nullmodel": (a.tier == "ci" or a.nullmodel) and "open" in arms}
|
||||
"nullmodel": (a.tier == "ci" or a.nullmodel) and not a.no_nullmodel and "open" in arms}
|
||||
if a.gpulock and not site.get("gpulock"):
|
||||
sys.exit("--gpulock: the site config names no gpulock")
|
||||
run_dir = run_sets(site, sets, arms, a.rugnux, a.build_dir, a.label, opts, subset,
|
||||
@@ -667,6 +675,70 @@ def cmd_run(a, site):
|
||||
if null_bad else [])))
|
||||
|
||||
|
||||
def cmd_nullmodel(a, site):
|
||||
"""The wrong-model null on its own: a run directory with no sets of its own and only
|
||||
nullmodel_results.json, its report holding just that section. Exits 1 when a pair failed."""
|
||||
opts = {"threads": a.threads, "timeout": a.timeout, "model_check": False,
|
||||
"pdb_cache": site.get("pdb_cache") or model_check.DEFAULT_CACHE,
|
||||
"cod_cache": site.get("cod_cache") or shelx_check.DEFAULT_CACHE, "shelxl": None,
|
||||
"gpulock": site["gpulock"] if a.gpulock else None, "extra_args": [],
|
||||
"runs_root": a.runs_root or site["runs_root"], "nullmodel": True}
|
||||
if a.gpulock and not site.get("gpulock"):
|
||||
sys.exit("--gpulock: the site config names no gpulock")
|
||||
run_dir = run_sets(site, [], ["open"], a.rugnux, a.build_dir, a.label, opts, "wrong-model null", None)
|
||||
rows = json.load(open(os.path.join(run_dir, "nullmodel_results.json")))
|
||||
bad = [r for r in rows if r["verdict"] != "pass"]
|
||||
print(f"\nwrong-model null: {len(rows) - len(bad)} of {len(rows)} pairs pass", flush=True)
|
||||
if bad:
|
||||
sys.exit(f"wrong-model null: {len(bad)} pair(s) failed: " +
|
||||
", ".join(f"{r['set']} --model {r['model']} ({r['reason']})" for r in bad))
|
||||
|
||||
|
||||
KEPT_ROOT = os.path.join(HERE, "results")
|
||||
KEPT_FILES = ("report.md", "results.json", "manifest.json")
|
||||
PUBLIC_ARMS = {"open", "inhouse"}
|
||||
|
||||
|
||||
def cmd_keep(a, site):
|
||||
"""Copy a run's report.md, results.json and manifest.json, as written, into
|
||||
results/<role>/<run name>/, where they are committed for the paper tooling. The role names the
|
||||
machine (workstation, server); the files themselves record its host and hardware. Open and in-house
|
||||
runs only: a run its manifest marks private, or with any row or arm outside those two, is refused.
|
||||
A run of which only report.md exists (another host's, its other files still to come) is kept with
|
||||
what there is, checked on the report's own arms line."""
|
||||
src = a.run if os.path.isdir(a.run) else os.path.join(site["runs_root"], a.run)
|
||||
report_md = os.path.join(src, "report.md")
|
||||
if not os.path.exists(report_md):
|
||||
sys.exit(f"{src}: no report.md (a private run's is report_PRIVATE.md, and is never kept)")
|
||||
text = open(report_md, errors="replace").read()
|
||||
title = re.match(r"# Rugnux battery - (\S+)", text)
|
||||
arms_line = re.search(r"^- arms: ([^;]+);", text, re.M)
|
||||
if not (title and arms_line):
|
||||
sys.exit(f"{report_md}: not a battery report (no title or arms line)")
|
||||
arms = {x.strip() for x in arms_line.group(1).split(",")}
|
||||
if "PRIVATE ARM" in text:
|
||||
arms.add("private")
|
||||
man_path, res_path = os.path.join(src, "manifest.json"), os.path.join(src, "results.json")
|
||||
if os.path.exists(man_path):
|
||||
man = json.load(open(man_path))
|
||||
if man.get("private"):
|
||||
arms.add("private")
|
||||
arms |= set(man.get("arms", [])) | {e.get("arm") for e in man.get("sets", [])}
|
||||
if os.path.exists(res_path):
|
||||
arms |= {r.get("arm") for r in json.load(open(res_path))}
|
||||
if not arms <= PUBLIC_ARMS:
|
||||
sys.exit(f"{src}: refused - it holds arm(s) {', '.join(sorted(map(str, arms - PUBLIC_ARMS)))}; "
|
||||
"only open and inhouse runs are kept")
|
||||
dest = os.path.join(KEPT_ROOT, a.role, title.group(1))
|
||||
os.makedirs(dest, exist_ok=True)
|
||||
for name in KEPT_FILES:
|
||||
if os.path.exists(os.path.join(src, name)):
|
||||
shutil.copyfile(os.path.join(src, name), os.path.join(dest, name))
|
||||
else:
|
||||
print(f"note: {src} has no {name}; kept without it")
|
||||
print(dest)
|
||||
|
||||
|
||||
def stress_one(stress_dir, binary, e, i, opts):
|
||||
"""One stress job: set e, repetition i. Returns its line of stress.json."""
|
||||
wd = os.path.join(stress_dir, "work", e["arm"], e["id"], str(i))
|
||||
@@ -1004,11 +1076,29 @@ def main():
|
||||
"REFMAC (model_check.py; needs CCP4)")
|
||||
r.add_argument("--extra", default="", help="extra rugnux arguments, applied to every set")
|
||||
r.add_argument("--nullmodel", action="store_true",
|
||||
help="also run the wrong-model null (nullmodel.json; always on with --tier ci)")
|
||||
help="also run the wrong-model null (nullmodel.json; on by default with --tier ci)")
|
||||
r.add_argument("--no-nullmodel", action="store_true",
|
||||
help="not even with --tier ci (CI runs it as its own step: battery.py nullmodel)")
|
||||
r.add_argument("--baseline", help="earlier run directory to report the delta against (default: "
|
||||
"the site's persisted baseline; 'none' for no delta)")
|
||||
r.add_argument("--runs-root")
|
||||
|
||||
nm = sub.add_parser("nullmodel", help="the wrong-model null on its own; fail on any failed pair")
|
||||
nm.add_argument("--rugnux", required=True)
|
||||
nm.add_argument("--label", help="short name, part of the run directory's name")
|
||||
nm.add_argument("--build-dir", help="build tree whose CMakeCache.txt records the flags")
|
||||
nm.add_argument("--gpulock", action="store_true", help="queue each rugnux behind the site's GPU lock")
|
||||
nm.add_argument("--threads", type=int, default=0, help="-N for rugnux (default: its own choice)")
|
||||
nm.add_argument("--timeout", type=int, default=10800, help="per rugnux run, in s")
|
||||
nm.add_argument("--runs-root")
|
||||
|
||||
kp = sub.add_parser("keep", help="copy a run's report.md, results.json and manifest.json into "
|
||||
"results/<role>/<run>/ (open and inhouse runs only)")
|
||||
kp.add_argument("run")
|
||||
kp.add_argument("--as", dest="role", required=True, choices=("workstation", "server"),
|
||||
help="the machine the run is from: workstation (1 socket, RTX 5080) or server "
|
||||
"(4 sockets, 4x T4)")
|
||||
|
||||
st = sub.add_parser("stress", help="run sets repeatedly / side by side / under compute-sanitizer; "
|
||||
"fail on any crash")
|
||||
st.add_argument("--rugnux", required=True)
|
||||
@@ -1081,7 +1171,7 @@ def main():
|
||||
report.SHELXL = shelx_check.find_shelxl(site.get("shelxl"))
|
||||
report.MANIFESTS = {arm: {e["id"]: e for e in load_sets(site, arm)}
|
||||
for arm, cfg in site["arms"].items() if os.path.exists(cfg["manifest"])}
|
||||
{"run": cmd_run, "stress": cmd_stress, "list": cmd_list, "compare": cmd_compare, "table": cmd_table, "report": cmd_report,
|
||||
{"run": cmd_run, "nullmodel": cmd_nullmodel, "keep": cmd_keep, "stress": cmd_stress, "list": cmd_list, "compare": cmd_compare, "table": cmd_table, "report": cmd_report,
|
||||
"abort": cmd_abort, "recheck": cmd_recheck, "discover": cmd_discover, "refs": cmd_refs, "remap": cmd_remap}[a.cmd](a, site)
|
||||
|
||||
|
||||
|
||||
@@ -12,8 +12,8 @@ wrong-model run with the no-model run of the same set:
|
||||
SOHNCKE group and SPACE_GROUP_ENANTIOMORPH, cell, resolution cut, twinning,
|
||||
warnings, ...), provenance lines aside
|
||||
(c) null the model is recognised as wrong: MODEL_FIT is not ACCEPTED, MODEL_DECISIONS_TAKEN is
|
||||
NONE, no enantiomorph adopted, CC_MODEL_CONFIRMED_TO_D_MIN is NONE (the report says a
|
||||
model cannot agree by accident with measurements it was never fitted to), and R_FREE
|
||||
NONE, no enantiomorph adopted, CC_MODEL_CONFIRMED_TO_D_MIN is NONE (no shell's
|
||||
CC(model, data) clears its empirical null), and R_FREE
|
||||
is where a random structure's is: 0.586 for acentric reflections, 0.828 for centric
|
||||
(Wilson 1950); the scale, anisotropic B, bulk solvent and rigid body fitted to the
|
||||
working set can only pull it a few points below that, so R_FREE >= RANDOM_R_FREE_MIN.
|
||||
|
||||
@@ -5,7 +5,8 @@
|
||||
tools/battery/paper_plots.py RUN [RUN ...] --out DIR [--time-runs RUN [RUN ...]] [--time-arms ARM [ARM ...]]
|
||||
[--uncontended RUN]
|
||||
|
||||
RUN is a battery run directory (or its name under the site's runs_root); later runs fill in sets
|
||||
RUN is a battery run directory, or its name under the site's runs_root or among the kept runs
|
||||
(tools/battery/results/<role>/<run>/, battery.py keep); later runs fill in sets
|
||||
an earlier one lacks or that failed to run there (a `-redo` of CUDA casualties). --time-runs draws
|
||||
the time histogram from other runs than the two quality figures - a run whose sets had the GPU to
|
||||
themselves, where the runs for the quality figures had to share it. The quality figures read only the
|
||||
@@ -54,6 +55,7 @@ import sys
|
||||
import gemmi
|
||||
|
||||
RUNS_ROOT = "/data/battery/runs"
|
||||
KEPT_ROOT = os.path.join(os.path.dirname(os.path.abspath(__file__)), "results")
|
||||
RFREE_BAND = 0.05 # |R-free Rugnux - R-free depositor| counted as "within"
|
||||
TIME_BIN = 25 # s, histogram bin width
|
||||
ZOOM_MAX = 60 # s, range of the zoomed time histogram
|
||||
@@ -141,11 +143,24 @@ plot "%(out)s/time.dat" using (zbin($3)):($3 < %(zhi)d ? 1 : 0) smooth frequency
|
||||
"""
|
||||
|
||||
|
||||
def run_path(run):
|
||||
"""A run directory as given, else by name under RUNS_ROOT, else among the kept runs."""
|
||||
if os.path.isdir(run):
|
||||
return run
|
||||
if os.path.isdir(os.path.join(RUNS_ROOT, run)):
|
||||
return os.path.join(RUNS_ROOT, run)
|
||||
kept = [os.path.join(KEPT_ROOT, h, run) for h in sorted(os.listdir(KEPT_ROOT))
|
||||
if os.path.isdir(os.path.join(KEPT_ROOT, h, run))] if os.path.isdir(KEPT_ROOT) else []
|
||||
if not kept:
|
||||
sys.exit(f"{run}: not a directory, not under {RUNS_ROOT} and not a kept run")
|
||||
return kept[0]
|
||||
|
||||
|
||||
def load_rows(runs, arms=("open",)):
|
||||
"""Rows of the given arms, a later run's row replacing one that did not run."""
|
||||
rows, manifests = {}, []
|
||||
for run in runs:
|
||||
path = run if os.path.isdir(run) else os.path.join(RUNS_ROOT, run)
|
||||
path = run_path(run)
|
||||
manifests.append((path, json.load(open(os.path.join(path, "manifest.json")))))
|
||||
for r in json.load(open(os.path.join(path, "results.json"))):
|
||||
if r["arm"] not in arms:
|
||||
|
||||
@@ -408,6 +408,8 @@ def build(run_dir, baseline=None, allow_incomplete=False):
|
||||
null_path = os.path.join(run_dir, "nullmodel_results.json")
|
||||
if os.path.exists(null_path):
|
||||
nullmodel.section(doc, json.load(open(null_path)))
|
||||
if not res: # the wrong-model null on its own (battery.py nullmodel): that section is the report
|
||||
return doc
|
||||
|
||||
doc.h(2, "Summary")
|
||||
head = ["arm", "sets", "pass", "of which alt", "fail", "crash", "unscored", "not run", "pass rate",
|
||||
|
||||
File diff suppressed because it is too large
Load Diff
@@ -0,0 +1,695 @@
|
||||
# Rugnux battery - 20261011-1236_549939_1.0.0-rc.175
|
||||
|
||||
- rugnux 1.0.0-rc.175, sha256 960ce5ca7e0152bd, build flags: Release CXX_FLAGS='-march=x86-64-v3' CUDA=ON
|
||||
- runner 54993911f, host mx-aare-test, 2026-10-11T12:36:15 -> 2026-10-11T14:55:31
|
||||
- hardware: Intel(R) Xeon(R) Gold 6146 CPU @ 3.20GHz, 3.20 GHz nominal (model name), 48C/48T, 4 socket(s), 1479 GiB RAM, GPU: Tesla T4 (15360 MiB), Tesla T4 (15360 MiB), Tesla T4 (15360 MiB), Tesla T4 (15360 MiB)
|
||||
- arms: open, inhouse; 255 sets (full arm)
|
||||
- timing: GPU was not shared during the run
|
||||
- command options: (none beyond output selection)
|
||||
- command, open arm: `rugnux --model <deposited coordinates> <input>` (without --model where there is no deposited model: small molecules, unpublished sets)
|
||||
- command, inhouse arm: `rugnux --report-resolution <XDS d_min>,<XDS d_max> [--model <reference model>] <input>`: the second statistics table at XDS's range is report-only; where XDS kept Friedel mates apart the scorer reads the run's own per-hand table, which needs no flag. --model where the set names a PDB entry of its crystal form (the standard proteins)
|
||||
|
||||
## Summary
|
||||
|
||||
| arm | sets | pass | of which alt | fail | crash | unscored | not run | pass rate | median res. gain | median ISa | median R_meas | median time s | total time min |
|
||||
|:--|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|
|
||||
| open | 208 | 195 | 4 | 10 | 0 | 3 | 0 | 195/205 (95%) | +11.9% | 13.5 | 14.3% | 25 | 111.4 |
|
||||
| inhouse | 47 | 47 | 0 | 0 | 0 | 0 | 0 | 47/47 (100%) | +6.2% | 22.9 | 9.5% | 18 | 16.5 |
|
||||
|
||||
_Plot in report.html: verdicts per arm_
|
||||
|
||||
Pass rate is over the scored sets (pass + fail + crash). `of which alt` counts the passes that are already in `pass`: rows where the answer matched an accepted alternative reference rather than the deposition, listed under Accepted alternatives below. In the bar chart they are drawn as their own segment. Every number in this table is rugnux's own run at its own resolution cut: what a user gets. Resolution gain is (reference d_min - our d_min) / reference d_min: positive = finer than the deposition, or than XDS. Medians leave out the no-crystal controls. R_meas and CC1/2 are pooled over each run's own resolution range, so they describe a run and do not rank two; the like-for-like comparison with XDS is the reference-range table below. Each set runs once, so every time includes reading its images from disk (unless they were still in the page cache from before the run).
|
||||
|
||||
### By population
|
||||
|
||||
| arm | population | sets | pass rate | median res. gain |
|
||||
|:--|:--|--:|:--|--:|
|
||||
| open | SMV | 2 | 2/2 (100%) | +11.3% |
|
||||
| open | cbf | 99 | 94/97 (97%) | +11.7% |
|
||||
| open | cdte | 3 | 3/3 (100%) | +5.3% |
|
||||
| open | cubic | 13 | 13/13 (100%) | +15.5% |
|
||||
| open | diffuse | 4 | 4/4 (100%) | +9.9% |
|
||||
| open | h5 | 58 | 58/58 (100%) | +12.6% |
|
||||
| open | hexagonal | 19 | 18/18 (100%) | +13.2% |
|
||||
| open | home-source | 11 | 8/11 (73%) | +12.7% |
|
||||
| open | large-cell | 5 | 5/5 (100%) | +9.5% |
|
||||
| open | long-axis | 6 | 6/6 (100%) | +14.8% |
|
||||
| open | long-wavelength | 2 | 2/2 (100%) | +8.2% |
|
||||
| open | low-resolution | 1 | 1/1 (100%) | -8.3% |
|
||||
| open | marCCD | 17 | 16/17 (94%) | +11.9% |
|
||||
| open | marccd | 8 | 7/8 (88%) | +11.7% |
|
||||
| open | monoclinic | 50 | 44/50 (88%) | +11.7% |
|
||||
| open | nxs | 2 | 1/1 (100%) | +7.1% |
|
||||
| open | orthorhombic | 49 | 47/48 (98%) | +11.5% |
|
||||
| open | pseudo-merohedral | 5 | 2/5 (40%) | +8.4% |
|
||||
| open | pseudo-symmetry | 7 | 6/7 (86%) | +8.3% |
|
||||
| open | small-molecule | 6 | 5/5 (100%) | -12.9% |
|
||||
| open | smv | 22 | 17/22 (77%) | +10.6% |
|
||||
| open | tetragonal | 25 | 24/25 (96%) | +10.3% |
|
||||
| open | tncs | 5 | 4/5 (80%) | +12.7% |
|
||||
| open | triclinic | 13 | 13/13 (100%) | +8.6% |
|
||||
| open | trigonal | 19 | 18/19 (95%) | +13.5% |
|
||||
| open | twin | 15 | 10/15 (67%) | +9.7% |
|
||||
| open | two-wavelength | 2 | 2/2 (100%) | +10.8% |
|
||||
| open | virus | 1 | 1/1 (100%) | +9.5% |
|
||||
| inhouse | control | 2 | 2/2 (100%) | - |
|
||||
| inhouse | cubic | 1 | 1/1 (100%) | +2.4% |
|
||||
| inhouse | cytochrome-c | 3 | 3/3 (100%) | +9.1% |
|
||||
| inhouse | h5 | 47 | 47/47 (100%) | +6.2% |
|
||||
| inhouse | hexagonal | 2 | 2/2 (100%) | - |
|
||||
| inhouse | insulin | 9 | 9/9 (100%) | +4.9% |
|
||||
| inhouse | iodine | 2 | 2/2 (100%) | +16.3% |
|
||||
| inhouse | long-wavelength | 7 | 7/7 (100%) | +0.9% |
|
||||
| inhouse | lysozyme | 12 | 12/12 (100%) | +7.2% |
|
||||
| inhouse | monoclinic | 3 | 3/3 (100%) | +2.6% |
|
||||
| inhouse | myoglobin | 6 | 6/6 (100%) | -2.8% |
|
||||
| inhouse | orthorhombic | 1 | 1/1 (100%) | +2.8% |
|
||||
| inhouse | pink-beam | 3 | 3/3 (100%) | +15.6% |
|
||||
| inhouse | small-molecule | 8 | 8/8 (100%) | +2.7% |
|
||||
| inhouse | tetragonal | 1 | 1/1 (100%) | +10.3% |
|
||||
| inhouse | thaumatin | 7 | 7/7 (100%) | +2.7% |
|
||||
| inhouse | twin | 4 | 4/4 (100%) | -19.6% |
|
||||
|
||||
### Distributions (sets that merged, controls left out)
|
||||
|
||||
| arm | metric | n | min | q1 | median | q3 | max |
|
||||
|:--|:--|--:|--:|--:|--:|--:|--:|
|
||||
| open | ISa | 208 | 3.9 | 9.9 | 13.5 | 19.2 | 51.3 |
|
||||
| open | R_meas | 208 | 2.4% | 9.1% | 14.3% | 22.2% | 406.2% |
|
||||
| open | CC1/2 | 208 | 0.927 | 0.995 | 0.998 | 0.999 | 1.000 |
|
||||
| open | res. gain % | 204 | -68.3 | +7.8 | +11.9 | +16.6 | +34.3 |
|
||||
| open | low-res shell R_meas | 208 | 1.6% | 4.1% | 5.5% | 8.2% | 35.9% |
|
||||
| open | R_model, shell-scaled | 201 | 0.096 | 0.180 | 0.208 | 0.247 | 0.580 |
|
||||
| open | R_free (placement, within-run only) | 201 | 0.121 | 0.189 | 0.218 | 0.256 | 0.572 |
|
||||
| open | radial misfit | 201 | 0.02 | 0.08 | 0.12 | 0.16 | 0.66 |
|
||||
| open | R_free ratio | 201 | 0.804 | 0.957 | 1.026 | 1.107 | 3.386 |
|
||||
| open | anomalous map at the scatterers, sigma | 201 | -3.32 | 0.69 | 1.44 | 3.52 | 29.15 |
|
||||
| open | dCC vs depositor, all | 201 | -0.367 | -0.019 | -0.004 | +0.003 | +0.196 |
|
||||
| open | dCC vs depositor, outer 2 shells | 201 | -0.643 | -0.029 | -0.004 | +0.029 | +0.323 |
|
||||
| open | CC(Fc^2) past the deposited limit | 187 | -0.025 | 0.224 | 0.297 | 0.374 | 0.926 |
|
||||
| open | time s | 208 | 5 | 16 | 25 | 40 | 169 |
|
||||
| inhouse | ISa | 44 | 2.3 | 10.9 | 22.9 | 32.8 | 50.9 |
|
||||
| inhouse | R_meas | 45 | 2.7% | 6.3% | 9.5% | 28.5% | 245.2% |
|
||||
| inhouse | CC1/2 | 45 | 0.578 | 0.998 | 0.999 | 1.000 | 1.000 |
|
||||
| inhouse | res. gain % | 43 | -48.8 | +1.8 | +6.2 | +10.9 | +21.5 |
|
||||
| inhouse | ref-range ISa / XDS | 43 | 0.219 | 0.888 | 1.079 | 1.296 | 6.935 |
|
||||
| inhouse | ref-range R_meas / XDS | 43 | 0.220 | 0.838 | 0.931 | 1.045 | 3.643 |
|
||||
| inhouse | low-res shell R_meas | 45 | 2.2% | 3.8% | 4.8% | 8.1% | 44.7% |
|
||||
| inhouse | ref-range low-res R_meas / XDS | 43 | 0.239 | 0.871 | 1.025 | 1.149 | 2.429 |
|
||||
| inhouse | ref-range CC1/2 noise / XDS | 43 | 0.04 | 0.33 | 0.56 | 0.80 | 25.56 |
|
||||
| inhouse | R_model, shell-scaled | 37 | 0.183 | 0.228 | 0.253 | 0.293 | 0.492 |
|
||||
| inhouse | R_free (placement, within-run only) | 37 | 0.175 | 0.237 | 0.287 | 0.334 | 0.523 |
|
||||
| inhouse | radial misfit | 37 | 0.03 | 0.07 | 0.11 | 0.18 | 0.31 |
|
||||
| inhouse | R_free ratio | 37 | 0.940 | 1.224 | 1.530 | 1.858 | 2.401 |
|
||||
| inhouse | anomalous map at the scatterers, sigma | 37 | -0.26 | 1.52 | 3.23 | 6.12 | 11.77 |
|
||||
| inhouse | time s | 45 | 8 | 14 | 18 | 26 | 48 |
|
||||
|
||||
### Per set, against the reference
|
||||
|
||||
_Plot in report.html: open: d_min(rugnux, own cut) / d_min(reference), one point per set, sorted; below 1 = finer than the reference_
|
||||
|
||||
_Plot in report.html: inhouse: d_min(rugnux, own cut) / d_min(reference), one point per set, sorted; below 1 = finer than the reference_
|
||||
|
||||
_Plot in report.html: inhouse: ISa of the reference-range table (the error model refitted on it) / XDS's ISa; above 1 = rugnux's error model is the better one. One point per set, sorted._
|
||||
|
||||
_Plot in report.html: inhouse: R_meas over the reference range / XDS's R_meas; below 1 = rugnux's merge is the more consistent one. One point per set, sorted._
|
||||
|
||||
_Plot in report.html: inhouse: R_meas of the lowest-resolution shell of the reference-range table / of XDS's table; below 1 = rugnux's strong reflections agree better. One point per set, sorted._
|
||||
|
||||
_Plot in report.html: inhouse: half-set noise over the reference range read off CC1/2 (1 / CC1/2 - 1) / XDS's; 2 = as noisy as XDS's merge would be with half its observations (not scored). One point per set, sorted._
|
||||
|
||||
_Plot in report.html: R_free of the deposited model against our merge, as rugnux reports it with --model (a rigid-body placement, scored on rugnux's own free set: a trend number, not a refinement) / the R_free the depositor published, one point per set, sorted; below 1 = lower than published_
|
||||
|
||||
### Against the depositor's data
|
||||
|
||||
Per resolution shell, the rank correlation of our merged intensities with |Fc|^2 minus that of the depositor's own data, on the reflections both carry (d < 4 A, eight shells of equal count), |Fc| from the deposited model as it is (no bulk solvent, no refinement; depdata_check.py). The model was refined against the depositor's data, so zero is already a good result: across a corpus the median sits near -0.01. 'Past the limit' is CC(I, |Fc|^2) of our reflections in the outermost of up to three shells beyond the deposited data's limit, which the model never saw: clearly above zero there is signal. Reported, never scored.
|
||||
|
||||
| set | dep. data | our d_min | dep. d_min | common refl. | dCC all | dCC outer 2 | CC past limit | to d A | REFMAC ratio | ISa | tags |
|
||||
|:--|:--|--:|--:|--:|--:|--:|--:|--:|--:|--:|:--|
|
||||
| 3r6o | F | 1.53 | 1.95 | 16778 | -0.306 | -0.643 | 0.025 | 1.54 | - | 4.2 | smv, tetragonal, home-source |
|
||||
| 2wnq | F | 1.65 | 1.80 | 101895 | -0.145 | -0.549 | 0.076 | 1.65 | - | 10.6 | smv, monoclinic, twin, pseudo-merohedral |
|
||||
| 4bwl | F | 1.68 | 2.00 | 72820 | -0.318 | -0.522 | 0.118 | 1.68 | - | 13.7 | smv, monoclinic, twin, pseudo-merohedral |
|
||||
| 2xfw | F | 1.54 | 1.65 | 147572 | -0.107 | -0.451 | 0.301 | 1.54 | - | 15.3 | smv, monoclinic, twin, pseudo-merohedral |
|
||||
| 9qw8 | I | 1.69 | 1.80 | 37911 | -0.367 | -0.422 | 0.150 | 1.69 | - | 5.2 | h5, triclinic |
|
||||
| 3p85 | F | 1.62 | 1.90 | 24300 | -0.162 | -0.380 | 0.291 | 1.61 | - | 8.6 | smv, hexagonal, home-source |
|
||||
| 2wnn | F | 1.43 | 1.65 | 123464 | -0.056 | -0.348 | 0.211 | 1.43 | - | 15.2 | smv, monoclinic, twin, pseudo-merohedral |
|
||||
| 2wnz | F | 1.83 | 1.85 | 96596 | -0.088 | -0.331 | 0.073 | 1.83 | - | 17.4 | smv, monoclinic, pseudo-symmetry |
|
||||
| 3mc4 | F | 1.75 | 1.95 | 24519 | -0.155 | -0.327 | 0.253 | 1.76 | - | 12.7 | smv, trigonal, home-source |
|
||||
| 9qw2 | F | 1.82 | 1.92 | 43869 | -0.180 | -0.325 | 0.386 | 1.82 | - | 6.4 | cbf, monoclinic, pseudo-symmetry |
|
||||
| 9lxl | I | 2.08 | 2.19 | 18039 | -0.277 | -0.275 | 0.073 | 2.07 | - | 6.2 | h5, tetragonal |
|
||||
| 6yqf | I | 3.32 | 3.33 | 932 | -0.138 | -0.235 | - | - | - | 6.5 | cbf, orthorhombic |
|
||||
| 9hnc | F | 1.64 | 1.88 | 404682 | -0.061 | -0.234 | 0.377 | 1.63 | - | 13.6 | cbf, monoclinic |
|
||||
| 6r72 | F | 4.39 | 3.95 | 18987 | -0.092 | -0.231 | - | - | - | 16.6 | h5, monoclinic |
|
||||
| 5ky6 | F | 1.50 | 1.94 | 86175 | -0.129 | -0.212 | 0.169 | 1.50 | - | 6.9 | marccd |
|
||||
| 9rcs | I | 3.28 | 3.01 | 2015 | -0.217 | -0.211 | - | - | - | 7.4 | h5, monoclinic, cdte |
|
||||
| 7bgu | I | 2.32 | 2.43 | 14742 | -0.059 | -0.172 | 0.090 | 2.32 | - | 16.2 | marCCD, triclinic |
|
||||
| 3meb | F | 1.70 | 1.90 | 35118 | -0.044 | -0.133 | 0.221 | 1.71 | - | 13.2 | smv, monoclinic, home-source |
|
||||
| 9rci | F | 1.69 | 1.66 | 39470 | -0.033 | -0.129 | - | - | - | 7.5 | h5, triclinic, tncs |
|
||||
| 8qq7 | I | 3.15 | 3.62 | 5507 | -0.108 | -0.110 | -0.025 | 3.15 | - | 6.0 | cbf, hexagonal |
|
||||
| 8k1g | F | 1.62 | 2.09 | 34025 | -0.079 | -0.109 | 0.275 | 1.62 | - | 11.6 | cbf, tetragonal |
|
||||
| 6ze4 | I | 1.29 | 1.60 | 136771 | -0.104 | -0.107 | 0.288 | 1.30 | - | 10.5 | cbf, orthorhombic |
|
||||
| 5epe | F | 1.75 | 1.90 | 22792 | -0.029 | -0.103 | 0.345 | 1.75 | - | 11.1 | marCCD, cubic |
|
||||
| 6u7g | I | 1.89 | 2.35 | 87246 | -0.055 | -0.102 | 0.234 | 1.89 | - | 13.5 | h5, monoclinic |
|
||||
| 6zqr | F | 1.77 | 1.93 | 37169 | -0.047 | -0.099 | 0.296 | 1.76 | - | 8.9 | smv |
|
||||
| 9pbb | I | 1.80 | 2.16 | 11259 | -0.036 | -0.093 | 0.173 | 1.80 | - | 15.9 | cbf, monoclinic |
|
||||
| 6zqy | F | 1.69 | 1.85 | 47653 | -0.018 | -0.087 | 0.301 | 1.69 | - | 13.0 | smv |
|
||||
| 9hs7 | F | 1.66 | 1.70 | 9595 | -0.143 | -0.084 | 0.053 | 1.66 | - | 11.5 | cbf, hexagonal |
|
||||
| 6z9g | F | 1.62 | 1.74 | 166211 | -0.070 | -0.077 | 0.212 | 1.61 | - | 10.7 | h5, tncs |
|
||||
| 8c3e | I | 1.79 | 2.10 | 4079 | -0.037 | -0.076 | 0.161 | 1.79 | - | 5.9 | cbf, trigonal, home-source, twin |
|
||||
| 7arr | I | 0.92 | 1.10 | 47747 | -0.031 | -0.074 | 0.330 | 0.92 | - | 18.7 | cbf, triclinic |
|
||||
| 6jgh | I | 0.88 | 0.94 | 139811 | -0.012 | -0.067 | 0.352 | 0.88 | - | 6.7 | marccd |
|
||||
| 6qaj | I | 2.78 | 2.63 | 4121 | -0.132 | -0.064 | - | - | - | 12.9 | cbf |
|
||||
| 5f6m | I | 1.09 | 1.10 | 68757 | -0.006 | -0.059 | 0.365 | 1.09 | - | 23.0 | cbf, orthorhombic, diffuse |
|
||||
| 7tcd | I | 1.67 | 1.70 | 27126 | -0.043 | -0.057 | 0.185 | 1.66 | - | 18.0 | h5, monoclinic |
|
||||
| 6z8o | F | 2.16 | 2.20 | 22410 | -0.154 | -0.055 | 0.125 | 2.16 | - | 14.5 | h5, monoclinic |
|
||||
| 5t39 | I | 1.00 | 1.10 | 92595 | -0.009 | -0.054 | 0.410 | 1.00 | - | 16.1 | marccd |
|
||||
| 8dyz | I | 1.14 | 1.27 | 24752 | -0.007 | -0.050 | 0.625 | 1.14 | - | 37.8 | cbf, tetragonal, diffuse |
|
||||
| 9upt | F | 2.03 | 2.37 | 24477 | -0.036 | -0.046 | 0.322 | 2.03 | - | 6.5 | SMV, hexagonal |
|
||||
| 7brr | I | 1.24 | 1.40 | 102801 | -0.024 | -0.044 | 0.265 | 1.24 | - | 16.4 | h5, monoclinic |
|
||||
| 6oww | F | 2.83 | 3.84 | 3373 | +0.035 | -0.043 | 0.079 | 2.83 | - | 12.4 | cbf, monoclinic, pseudo-symmetry |
|
||||
| 9b22 | I | 1.14 | 1.30 | 96597 | -0.013 | -0.040 | 0.444 | 1.14 | - | 16.4 | h5, monoclinic |
|
||||
| 7raa | I | 2.64 | 2.69 | 7522 | -0.068 | -0.038 | 0.170 | 2.64 | - | 10.4 | cbf |
|
||||
| 5lzl | F | 2.89 | 3.47 | 21840 | -0.019 | -0.037 | 0.224 | 2.90 | - | 14.6 | cbf, trigonal |
|
||||
| 9p7q | I | 1.78 | 2.21 | 12159 | -0.028 | -0.034 | 0.282 | 1.77 | - | 10.8 | cbf, monoclinic |
|
||||
| 5reo | F | 1.64 | 1.88 | 18391 | -0.032 | -0.034 | 0.340 | 1.64 | - | 23.0 | cbf, monoclinic |
|
||||
| 6rlr | I | 1.94 | 2.00 | 19974 | +0.002 | -0.034 | 0.245 | 1.94 | - | 16.3 | h5, triclinic, twin |
|
||||
| 9qvv | I | 2.53 | 2.72 | 16358 | -0.013 | -0.034 | 0.148 | 2.53 | - | 38.1 | nxs, orthorhombic, pseudo-symmetry |
|
||||
| 5m17 | I | 0.98 | 1.03 | 185105 | -0.006 | -0.031 | 0.312 | 0.98 | - | 16.1 | cbf, tetragonal |
|
||||
| 6oel | I | 2.85 | 3.10 | 13233 | -0.013 | -0.031 | 0.277 | 2.85 | - | 10.3 | SMV, cubic |
|
||||
| 8y74 | F | 1.69 | 1.90 | 58040 | -0.010 | -0.028 | 0.288 | 1.69 | - | 8.8 | h5, monoclinic |
|
||||
| 9zm0 | I | 1.79 | 2.10 | 13858 | -0.016 | -0.028 | 0.113 | 1.80 | - | 8.9 | h5, monoclinic |
|
||||
| 4nwv | F | 2.94 | 3.26 | 160555 | -0.016 | -0.028 | 0.212 | 2.94 | - | 8.4 | marCCD, orthorhombic, large-cell, virus |
|
||||
| 5vml | F | 1.91 | 1.70 | 14321 | -0.007 | -0.028 | - | - | - | 11.6 | smv, tetragonal, home-source |
|
||||
| 6iu8 | I | 2.34 | 2.70 | 15286 | +0.003 | -0.028 | 0.188 | 2.34 | - | 8.0 | cbf, trigonal |
|
||||
| 9gjx | I | 2.07 | 2.40 | 52052 | -0.002 | -0.024 | 0.260 | 2.07 | - | 39.2 | h5, monoclinic |
|
||||
| 9zlo | I | 1.56 | 2.00 | 22408 | -0.008 | -0.024 | 0.243 | 1.57 | - | 23.5 | h5, orthorhombic |
|
||||
| 9q66 | F | 2.07 | 2.01 | 87802 | -0.019 | -0.024 | - | - | - | 13.0 | h5, monoclinic |
|
||||
| 7n2s | I | 2.56 | 2.37 | 10820 | -0.012 | -0.024 | - | - | - | 14.5 | cbf, monoclinic |
|
||||
| 6iu9 | I | 2.76 | 3.00 | 9191 | +0.000 | -0.024 | 0.196 | 2.76 | - | 5.5 | cbf, trigonal, twin |
|
||||
| 9min | I | 1.95 | 2.05 | 79563 | -0.009 | -0.023 | 0.241 | 1.96 | - | 10.1 | cbf, orthorhombic |
|
||||
| 8r5r | F | 2.79 | 3.08 | 12960 | -0.031 | -0.023 | 0.231 | 2.79 | - | 18.9 | h5, orthorhombic |
|
||||
| 9h0q | I | 2.11 | 2.55 | 45699 | -0.006 | -0.022 | 0.332 | 2.12 | - | 18.2 | h5 |
|
||||
| 9fhc | F | 1.89 | 2.20 | 76515 | -0.002 | -0.021 | 0.348 | 1.90 | - | 11.9 | marCCD, cubic |
|
||||
| 9ih9 | F | 1.40 | 1.70 | 78422 | -0.004 | -0.020 | 0.376 | 1.40 | - | 12.7 | h5, monoclinic |
|
||||
| 9c18 | I | 1.74 | 1.90 | 25041 | -0.001 | -0.019 | 0.259 | 1.74 | - | 10.5 | h5, triclinic |
|
||||
| 9crw | I | 2.28 | 2.49 | 53875 | -0.023 | -0.019 | 0.120 | 2.29 | - | 15.4 | h5, monoclinic |
|
||||
| 9yl4 | I | 3.61 | 3.70 | 1130 | -0.009 | -0.019 | 0.180 | 3.61 | - | 9.8 | cbf, orthorhombic |
|
||||
| 7mzt | I | 3.18 | 4.05 | 8490 | -0.075 | -0.018 | 0.080 | 3.17 | - | 3.9 | cbf, orthorhombic |
|
||||
| 4p8r | F | 2.02 | 2.20 | 66661 | -0.004 | -0.018 | 0.396 | 2.02 | - | 7.2 | marCCD, hexagonal, large-cell, long-axis |
|
||||
| 6iu6 | I | 2.35 | 2.90 | 10758 | +0.002 | -0.018 | 0.250 | 2.35 | - | 7.1 | cbf, trigonal, twin |
|
||||
| 6iu5 | I | 2.12 | 2.25 | 30820 | -0.010 | -0.018 | 0.234 | 2.12 | - | 8.0 | cbf, trigonal, twin |
|
||||
| 6fid | F | 1.98 | 2.20 | 10528 | -0.005 | -0.018 | 0.820 | 1.97 | - | 13.5 | cbf, orthorhombic |
|
||||
| 6cdl | I | 1.13 | 1.24 | 56393 | -0.004 | -0.017 | 0.609 | 1.12 | - | 10.0 | marccd |
|
||||
| 6w75 | F | 1.69 | 1.95 | 99979 | -0.010 | -0.017 | 0.323 | 1.69 | - | 15.9 | marccd |
|
||||
| 9e2t | I | 2.35 | 2.28 | 31868 | -0.106 | -0.017 | - | - | - | 6.6 | cbf, triclinic |
|
||||
| 8xtf | I | 1.84 | 2.13 | 27229 | -0.003 | -0.016 | 0.421 | 1.84 | - | 7.8 | h5, trigonal |
|
||||
| 9gdj | I | 1.39 | 1.47 | 157444 | -0.007 | -0.016 | 0.297 | 1.39 | - | 12.9 | h5, tetragonal, cdte |
|
||||
| 5uth | F | 1.72 | 1.95 | 27656 | -0.004 | -0.015 | 0.424 | 1.73 | - | 10.1 | smv, trigonal, home-source |
|
||||
| 6h5t | F | 1.45 | 1.69 | 28184 | -0.006 | -0.014 | 0.348 | 1.46 | - | 9.3 | marCCD, tetragonal |
|
||||
| 6p8p | I | 1.45 | 1.64 | 64791 | -0.013 | -0.013 | 0.299 | 1.45 | - | 16.0 | cbf, tetragonal |
|
||||
| 5mln | F | 1.27 | 1.59 | 60800 | -0.012 | -0.012 | 0.393 | 1.27 | - | 21.0 | cbf |
|
||||
| 6w4h | F | 1.62 | 1.80 | 70331 | -0.003 | -0.012 | 0.411 | 1.62 | - | 18.5 | marCCD, trigonal |
|
||||
| 7kcn | I | 1.39 | 1.46 | 43289 | -0.009 | -0.012 | 0.569 | 1.39 | - | 11.8 | cbf, tetragonal |
|
||||
| 7q6j | I | 2.00 | 2.20 | 41719 | +0.006 | -0.010 | 0.234 | 2.00 | - | 10.0 | cbf, orthorhombic, pseudo-symmetry |
|
||||
| 6rym | I | 1.45 | 1.46 | 17018 | -0.005 | -0.009 | - | - | - | 22.8 | smv, tetragonal |
|
||||
| 8dz7 | I | 1.19 | 1.34 | 13603 | -0.002 | -0.008 | 0.809 | 1.19 | - | 35.1 | cbf, orthorhombic, diffuse |
|
||||
| 9chw | I | 1.60 | 2.16 | 20358 | -0.005 | -0.008 | 0.652 | 1.60 | - | 21.2 | marCCD, hexagonal |
|
||||
| 9jq9 | I | 1.65 | 1.90 | 13865 | +0.002 | -0.008 | 0.504 | 1.65 | - | 19.2 | cbf, orthorhombic, home-source |
|
||||
| 7l84 | I | 1.70 | 1.71 | 11375 | -0.001 | -0.007 | - | - | - | 11.3 | cbf, tetragonal |
|
||||
| 7bgt | I | 1.79 | 1.93 | 33463 | -0.003 | -0.007 | 0.319 | 1.80 | - | 16.9 | marCCD, triclinic |
|
||||
| 6wzo | I | 1.04 | 1.42 | 91591 | -0.012 | -0.007 | 0.341 | 1.04 | - | 16.9 | cbf, triclinic |
|
||||
| 7os3 | I | 1.96 | 2.18 | 32896 | +0.010 | -0.006 | 0.419 | 1.95 | - | 23.8 | cbf, orthorhombic |
|
||||
| 6gvk | I | 1.42 | 1.55 | 32916 | +0.001 | -0.006 | 0.208 | 1.42 | - | 19.5 | cbf, monoclinic |
|
||||
| 6i3j | I | 2.33 | 2.59 | 34974 | -0.011 | -0.005 | 0.348 | 2.33 | - | 7.8 | marCCD, orthorhombic |
|
||||
| 6s1u | I | 1.76 | 1.90 | 17747 | +0.000 | -0.005 | 0.346 | 1.76 | - | 13.4 | marccd |
|
||||
| 8agq | I | 0.97 | 1.09 | 98573 | -0.013 | -0.005 | 0.309 | 0.97 | - | 14.1 | cbf, monoclinic |
|
||||
| 6fvz | F | 1.48 | 1.80 | 105993 | -0.016 | -0.005 | 0.391 | 1.48 | - | 20.8 | cbf, orthorhombic |
|
||||
| 7atg | I | 0.60 | 0.60 | 54330 | -0.002 | -0.005 | - | - | - | 23.1 | cbf, orthorhombic |
|
||||
| 8a1a | F | 1.91 | 2.05 | 101603 | -0.006 | -0.005 | 0.357 | 1.91 | - | 19.2 | h5, hexagonal |
|
||||
| 6hv2 | F | 1.40 | 1.71 | 19192 | -0.031 | -0.004 | 0.098 | 1.40 | - | 14.6 | h5, hexagonal |
|
||||
| 6o2h | I | 1.10 | 1.21 | 11612 | -0.002 | -0.003 | 0.926 | 1.10 | - | 23.9 | cbf, triclinic, diffuse |
|
||||
| 5ojv | I | 1.85 | 2.06 | 63718 | -0.023 | -0.003 | 0.283 | 1.85 | - | 12.6 | cbf, orthorhombic, pseudo-symmetry |
|
||||
| 6pxb | I | 1.41 | 1.75 | 50825 | +0.010 | -0.001 | 0.108 | 1.41 | - | 12.0 | cbf, trigonal |
|
||||
| 7l6j | F | 1.50 | 1.78 | 37485 | -0.002 | -0.001 | 0.415 | 1.50 | - | 10.5 | marCCD, cubic |
|
||||
| 6cee | I | 1.38 | 1.55 | 14202 | -0.001 | +0.001 | 0.683 | 1.38 | - | 24.1 | smv, orthorhombic, home-source |
|
||||
| 9i80 | I | 1.59 | 1.95 | 68449 | -0.010 | +0.001 | 0.343 | 1.59 | - | 6.8 | h5, tetragonal, twin |
|
||||
| 3ky7 | F | 1.92 | 2.35 | 11401 | +0.002 | +0.002 | 0.184 | 1.92 | - | 12.2 | marCCD, cubic |
|
||||
| 9sl0 | I | 1.37 | 1.60 | 67358 | +0.002 | +0.003 | 0.246 | 1.37 | - | 20.0 | h5, orthorhombic |
|
||||
| 3inp | I | 1.70 | 2.05 | 26251 | -0.005 | +0.003 | 0.290 | 1.70 | - | 13.2 | marCCD, cubic |
|
||||
| 6nen | I | 1.77 | 2.15 | 10259 | +0.003 | +0.003 | 0.325 | 1.77 | - | 6.1 | smv |
|
||||
| 8iya | F | 1.90 | 2.43 | 16262 | -0.004 | +0.004 | 0.218 | 1.90 | - | 5.8 | h5, monoclinic |
|
||||
| 8tyy | I | 1.27 | 1.68 | 44789 | +0.000 | +0.004 | 0.472 | 1.27 | - | 16.1 | cbf, cubic |
|
||||
| 6vww | F | 1.99 | 2.20 | 58979 | -0.003 | +0.004 | 0.346 | 1.98 | - | 8.0 | cbf, hexagonal, twin |
|
||||
| 9mh4 | I | 2.78 | 3.05 | 9490 | +0.006 | +0.006 | 0.211 | 2.79 | - | 13.8 | h5, cubic |
|
||||
| 7d98 | I | 3.31 | 3.60 | 6283 | +0.006 | +0.006 | 0.243 | 3.30 | - | 15.5 | cbf, hexagonal, large-cell, long-axis, long-wavelength |
|
||||
| 7ris | I | 1.51 | 1.72 | 22161 | +0.003 | +0.006 | 0.222 | 1.51 | - | 30.9 | h5, trigonal |
|
||||
| 8dqb | I | 2.04 | 2.50 | 19165 | -0.002 | +0.006 | 0.374 | 2.04 | - | 22.1 | h5, cubic |
|
||||
| 9vyb | I | 1.67 | 2.12 | 5191 | -0.010 | +0.008 | 0.355 | 1.68 | - | 22.2 | h5, orthorhombic |
|
||||
| 7pq7 | F | 1.39 | 1.55 | 51887 | -0.007 | +0.009 | 0.140 | 1.39 | - | 13.6 | cbf, monoclinic |
|
||||
| 6v2r | I | 1.38 | 1.57 | 9330 | +0.000 | +0.009 | 0.482 | 1.38 | - | 24.6 | smv, tetragonal, home-source |
|
||||
| 8v4j | I | 1.10 | 1.30 | 41379 | +0.001 | +0.009 | 0.579 | 1.10 | - | 21.8 | smv, tetragonal |
|
||||
| 6cs9 | I | 1.71 | 1.85 | 5090 | -0.000 | +0.010 | 0.277 | 1.71 | - | 12.9 | smv, monoclinic |
|
||||
| 6zr0 | F | 1.64 | 1.94 | 40650 | -0.006 | +0.011 | 0.356 | 1.64 | - | 25.2 | cbf |
|
||||
| 9zmu | I | 1.72 | 1.98 | 21684 | -0.001 | +0.011 | 0.219 | 1.72 | - | 11.3 | h5, hexagonal |
|
||||
| 6f3p | F | 1.15 | 1.35 | 235840 | -0.002 | +0.013 | 0.459 | 1.15 | - | 9.3 | marccd |
|
||||
| 6g1f | I | 1.98 | 2.25 | 131737 | -0.001 | +0.013 | 0.289 | 1.98 | - | 20.8 | cbf |
|
||||
| 8egn | F | 1.63 | 1.95 | 38629 | -0.010 | +0.013 | 0.277 | 1.62 | - | 21.7 | cbf, orthorhombic |
|
||||
| 36gk | F | 2.10 | 2.28 | 84276 | -0.013 | +0.015 | 0.302 | 2.10 | - | 11.6 | h5, orthorhombic |
|
||||
| 7dkp | F | 1.20 | 1.45 | 131353 | +0.003 | +0.016 | 0.613 | 1.20 | - | 26.5 | h5, monoclinic |
|
||||
| 8sqq | I | 1.90 | 2.25 | 8697 | +0.006 | +0.016 | 0.329 | 1.90 | - | 17.8 | h5, cubic |
|
||||
| 9ig7 | F | 2.02 | 2.60 | 26626 | -0.006 | +0.017 | 0.255 | 2.02 | - | 11.0 | cbf, orthorhombic |
|
||||
| 6fwc | F | 1.41 | 1.70 | 126460 | -0.001 | +0.018 | 0.394 | 1.41 | - | 27.3 | cbf, orthorhombic |
|
||||
| 8qaw | F | 1.30 | 1.55 | 256134 | +0.001 | +0.018 | 0.354 | 1.30 | - | 10.8 | cbf, trigonal, long-axis |
|
||||
| 9bn8 | I | 1.19 | 1.35 | 119114 | -0.001 | +0.019 | 0.462 | 1.19 | - | 19.8 | h5, tetragonal |
|
||||
| 4mtk | F | 2.87 | 3.32 | 65045 | +0.009 | +0.019 | 0.243 | 2.87 | - | 15.6 | cbf, hexagonal, large-cell, long-axis |
|
||||
| 11if | I | 1.36 | 1.51 | 27273 | -0.004 | +0.020 | 0.271 | 1.36 | - | 26.1 | h5, tetragonal |
|
||||
| 7yzx | F | 1.87 | 1.90 | 83105 | -0.029 | +0.021 | 0.288 | 1.87 | - | 10.5 | cbf, hexagonal |
|
||||
| 8qj5 | I | 1.43 | 1.63 | 101762 | +0.003 | +0.021 | 0.382 | 1.43 | - | 8.3 | cbf, monoclinic |
|
||||
| 5jk4 | I | 0.96 | 1.01 | 134620 | -0.002 | +0.022 | 0.366 | 0.96 | - | 14.5 | smv, monoclinic |
|
||||
| 9jzo | F | 1.15 | 1.40 | 47877 | +0.001 | +0.022 | 0.774 | 1.15 | - | 8.3 | cbf, triclinic |
|
||||
| 5ebi | F | 0.86 | 1.09 | 39168 | +0.009 | +0.023 | 0.212 | 0.86 | - | 10.9 | marCCD, monoclinic, twin |
|
||||
| 8u0i | I | 1.38 | 1.54 | 16737 | +0.007 | +0.023 | 0.337 | 1.38 | - | 16.4 | cbf, tetragonal |
|
||||
| 7t5t | I | 1.24 | 1.35 | 101432 | -0.002 | +0.024 | 0.249 | 1.24 | - | 16.5 | cbf, tetragonal |
|
||||
| 9fcf | F | 1.78 | 2.36 | 9897 | -0.018 | +0.025 | 0.179 | 1.77 | - | 7.1 | cbf |
|
||||
| 8v2t | I | 1.15 | 1.40 | 33174 | +0.005 | +0.025 | 0.416 | 1.15 | - | 12.3 | cbf, tetragonal |
|
||||
| 8sqt | I | 1.83 | 2.20 | 9296 | -0.002 | +0.025 | 0.305 | 1.83 | - | 24.1 | h5, cubic |
|
||||
| 8s38 | F | 1.64 | 1.89 | 121216 | -0.004 | +0.026 | 0.364 | 1.64 | - | 22.5 | cbf, orthorhombic |
|
||||
| 6moj | I | 2.43 | 2.43 | 13971 | -0.050 | +0.026 | - | - | - | 8.4 | cbf, tetragonal |
|
||||
| 6h2p_1p89A | F | 1.76 | 1.88 | 85463 | +0.003 | +0.026 | 0.516 | 1.76 | - | 22.6 | cbf, orthorhombic, long-wavelength, two-wavelength |
|
||||
| 6pxc | F | 1.43 | 1.60 | 15636 | +0.008 | +0.028 | 0.317 | 1.43 | - | 10.5 | cbf, orthorhombic |
|
||||
| 8sqo | I | 1.31 | 1.55 | 33951 | +0.001 | +0.031 | 0.374 | 1.32 | - | 13.9 | h5, cubic |
|
||||
| 5nw5 | I | 7.04 | 6.50 | 9932 | -0.041 | +0.031 | - | - | - | 8.4 | cbf, orthorhombic, low-resolution |
|
||||
| 8t7r | I | 3.30 | 3.84 | 13697 | +0.026 | +0.032 | 0.290 | 3.30 | - | 10.2 | cbf, monoclinic |
|
||||
| 6jgj | F | 0.65 | 0.77 | 250563 | -0.049 | +0.032 | 0.377 | 0.65 | - | 15.1 | cbf, orthorhombic, cdte |
|
||||
| 9z72 | I | 2.00 | 2.38 | 28228 | +0.008 | +0.032 | 0.275 | 2.00 | - | 14.9 | cbf, trigonal, long-axis |
|
||||
| 5src | I | 0.97 | 1.05 | 138681 | +0.013 | +0.033 | 0.242 | 0.97 | - | 19.4 | cbf, tetragonal |
|
||||
| 6ukf | I | 0.95 | 1.00 | 143255 | +0.004 | +0.036 | 0.318 | 0.95 | - | 9.9 | cbf, monoclinic |
|
||||
| 8xtg | I | 1.55 | 2.00 | 177630 | -0.004 | +0.037 | 0.291 | 1.55 | - | 7.6 | cbf, trigonal |
|
||||
| 9khr | I | 1.40 | 2.00 | 11649 | +0.005 | +0.037 | 0.311 | 1.40 | - | 9.1 | marCCD, orthorhombic |
|
||||
| 8pqd | F | 1.31 | 1.50 | 102730 | +0.003 | +0.038 | 0.256 | 1.31 | - | 14.6 | h5, orthorhombic |
|
||||
| 9s02 | F | 1.43 | 1.65 | 187371 | -0.009 | +0.038 | 0.244 | 1.43 | - | 25.6 | h5, orthorhombic |
|
||||
| 8xte | I | 1.64 | 1.99 | 195244 | +0.004 | +0.039 | 0.306 | 1.64 | - | 12.4 | cbf, trigonal |
|
||||
| 9o0h | I | 2.01 | 2.24 | 15449 | +0.028 | +0.040 | 0.284 | 2.02 | - | 5.4 | cbf, orthorhombic |
|
||||
| 5cc8 | F | 1.53 | 2.00 | 28181 | +0.044 | +0.041 | 0.434 | 1.53 | - | 11.2 | smv, orthorhombic, home-source, tncs |
|
||||
| 9ea5 | I | 1.66 | 2.00 | 51522 | +0.009 | +0.041 | 0.320 | 1.66 | - | 26.7 | cbf, monoclinic |
|
||||
| 9w3y | I | 1.22 | 1.50 | 61343 | +0.006 | +0.042 | 0.446 | 1.21 | - | 18.6 | h5, orthorhombic |
|
||||
| 7ph1 | F | 1.09 | 1.18 | 120936 | -0.008 | +0.042 | 0.370 | 1.09 | - | 16.1 | cbf, orthorhombic |
|
||||
| 6h2p_native | F | 1.32 | 1.48 | 188245 | -0.005 | +0.042 | 0.295 | 1.32 | - | 19.8 | cbf, orthorhombic, two-wavelength |
|
||||
| 8tha | I | 1.34 | 1.68 | 8018 | +0.001 | +0.042 | 0.343 | 1.34 | - | 26.4 | cbf, hexagonal |
|
||||
| 9yzk | I | 3.87 | 4.50 | 13486 | +0.003 | +0.043 | 0.017 | 3.87 | - | 8.8 | cbf, monoclinic |
|
||||
| 8sa8 | I | 1.11 | 1.30 | 409825 | +0.007 | +0.045 | 0.482 | 1.11 | - | 21.7 | h5, monoclinic |
|
||||
| 9gqg | I | 1.82 | 2.00 | 15522 | +0.008 | +0.045 | 0.254 | 1.82 | - | 11.9 | h5, trigonal |
|
||||
| 8owm | F | 1.50 | 1.70 | 293905 | +0.003 | +0.046 | 0.414 | 1.50 | - | 21.1 | cbf, triclinic |
|
||||
| 6pb3 | I | 1.84 | 2.05 | 15266 | -0.003 | +0.046 | 0.244 | 1.84 | - | 24.8 | cbf, hexagonal |
|
||||
| 8rud | I | 1.65 | 2.10 | 77721 | +0.002 | +0.048 | 0.359 | 1.66 | - | 12.4 | cbf, monoclinic |
|
||||
| 9rp9 | I | 1.96 | 2.10 | 19430 | +0.020 | +0.052 | 0.384 | 1.96 | - | 28.5 | h5, monoclinic |
|
||||
| 6hwj | I | 1.70 | 1.98 | 52133 | +0.003 | +0.052 | 0.360 | 1.70 | - | 39.0 | cbf, monoclinic |
|
||||
| 8v4o | I | 2.12 | 2.70 | 59576 | +0.011 | +0.053 | 0.268 | 2.12 | - | 15.4 | h5, hexagonal |
|
||||
| 9q41 | I | 1.68 | 1.95 | 42194 | -0.004 | +0.053 | 0.403 | 1.67 | - | 7.5 | h5, orthorhombic |
|
||||
| 7orr | I | 1.64 | 1.79 | 16877 | -0.002 | +0.054 | 0.391 | 1.64 | - | 25.4 | h5, cubic |
|
||||
| 8oic | I | 2.34 | 2.51 | 78746 | -0.021 | +0.054 | 0.245 | 2.34 | - | 19.3 | h5, triclinic |
|
||||
| 6p8j | I | 1.35 | 1.47 | 191229 | -0.008 | +0.056 | 0.361 | 1.35 | - | 9.2 | cbf, monoclinic, pseudo-symmetry |
|
||||
| 7qis | F | 1.76 | 1.83 | 93162 | +0.014 | +0.057 | 0.271 | 1.76 | - | 17.2 | cbf, hexagonal |
|
||||
| 7n0i | I | 1.64 | 1.80 | 117514 | +0.017 | +0.057 | 0.132 | 1.64 | - | 10.5 | cbf, orthorhombic, tncs |
|
||||
| 9z44 | I | 6.78 | 7.20 | 1894 | +0.008 | +0.059 | 0.068 | 6.87 | - | 9.5 | cbf, monoclinic |
|
||||
| 9fcg | F | 1.38 | 1.54 | 37967 | +0.001 | +0.061 | 0.461 | 1.38 | - | 9.5 | cbf, tetragonal |
|
||||
| 7qij | I | 3.62 | 4.10 | 135378 | +0.032 | +0.066 | 0.097 | 3.62 | - | 9.2 | cbf, orthorhombic |
|
||||
| 6jgi | I | 0.75 | 0.85 | 187106 | +0.003 | +0.068 | 0.416 | 0.75 | - | 8.4 | marCCD, orthorhombic |
|
||||
| 9v16 | I | 2.91 | 3.45 | 35361 | +0.065 | +0.082 | 0.152 | 2.91 | - | 15.2 | h5, tetragonal, large-cell, long-axis |
|
||||
| 7rji | I | 1.47 | 1.71 | 16699 | +0.003 | +0.084 | 0.343 | 1.47 | - | 7.8 | cbf, trigonal |
|
||||
| 7ou1 | F | 1.39 | 1.65 | 176428 | +0.008 | +0.085 | 0.389 | 1.39 | - | 9.0 | marccd |
|
||||
| 5jvn | I | 2.23 | 2.90 | 21045 | +0.028 | +0.086 | 0.226 | 2.24 | - | 14.9 | cbf, hexagonal |
|
||||
| 9t6s | I | 1.75 | 2.00 | 25145 | +0.015 | +0.086 | 0.221 | 1.75 | - | 28.4 | h5, orthorhombic, tncs |
|
||||
| 6ttn | I | 1.05 | 1.12 | 126145 | +0.021 | +0.092 | 0.288 | 1.05 | - | 14.5 | cbf, orthorhombic |
|
||||
| 7k1l | F | 1.91 | 2.25 | 54383 | +0.012 | +0.094 | 0.337 | 1.91 | - | 9.9 | cbf, hexagonal |
|
||||
| 8ys9 | I | 1.31 | 1.46 | 75646 | +0.007 | +0.096 | 0.375 | 1.31 | - | 15.3 | h5, orthorhombic |
|
||||
| 6toc | I | 1.65 | 1.85 | 6080 | +0.013 | +0.136 | 0.357 | 1.65 | - | 25.1 | cbf, tetragonal, twin |
|
||||
| 9i0a | F | 1.80 | 2.22 | 60317 | +0.006 | +0.143 | 0.192 | 1.79 | - | 11.5 | h5, orthorhombic |
|
||||
| 8xbp | F | 1.68 | 2.00 | 24156 | +0.015 | +0.235 | 0.105 | 1.68 | - | 18.8 | h5, monoclinic |
|
||||
| 5j23 | F | 2.20 | 2.30 | 56769 | +0.196 | +0.323 | 0.419 | 2.20 | - | 11.5 | marCCD, trigonal, twin |
|
||||
|
||||
### Like for like with XDS: the reference-range table
|
||||
|
||||
The same merge, binned a second time over XDS's range (--report-resolution; report-only, nothing was processed differently for it), against XDS's CORRECT.LP totals. Where rugnux's own cut is coarser than the reference ('coverage' in the last column), the shells past it are not merged at all: the completeness there is coverage of XDS's range, not a quality loss, and the other rugnux numbers are over the shells it reached. XDS's totals are over its own merged range, which is the reference range except where the reference d_min was derived (see below).
|
||||
|
||||
| set | arm | range A | own d_min | compl % (rugnux / XDS) | mult | I/sigma | R_meas | low-res R_meas (to d A) | CC1/2 | CC1/2 noise ratio | ISa | reading |
|
||||
|:--|:--|:--|--:|:--|:--|--:|:--|:--|:--|--:|:--|:--|
|
||||
| aspirin_x10sa_20keV | inhouse | 50.000 0.680 | 0.66 | 85.2 / 84.0 | 6.0 / 3.1 | 43.0 | 3.0% / 3.3% | 2.3% / 3.3% (2.04 / 2.01) | 0.9996 / 0.999 | 0.27 | 35.5 / 27.4 | like for like |
|
||||
| aspirin_x10sa_25keV | inhouse | 50.000 0.550 | 0.53 | 87.6 / 86.6 | 6.0 / 3.1 | 35.0 | 3.1% / 3.4% | 2.2% / 3.2% (1.65 / 1.63) | 0.9996 / 0.999 | 0.27 | 34.3 / 29.2 | like for like |
|
||||
| citricacid_x10sa_20keV | inhouse | 50.000 0.680 | 0.67 | 82.7 / 82.0 | 5.1 / 3.1 | 43.0 | 4.1% / 4.1% | 5.0% / 5.0% (2.04 / 2.02) | 0.9973 / 0.997 | 0.77 | 23.1 / 20.4 | like for like |
|
||||
| cytc_x06da_1 | inhouse | 50.000 1.875 | 1.71 | 100.0 / 99.9 | 10.5 / 7.7 | 14.8 | 8.4% / 8.4% | 3.8% / 3.3% (5.59 / 5.58) | 0.9996 / 0.999 | 0.27 | 17.9 / 24.5 | like for like |
|
||||
| cytc_x06da_2 | inhouse | 50.000 1.690 | 1.57 | 100.0 / 99.9 | 10.2 / 7.8 | 13.4 | 8.9% / 9.7% | 3.4% / 3.2% (5.05 / 5.03) | 0.9996 / 0.999 | 0.27 | 23.3 / 27.0 | like for like |
|
||||
| cytc_x10sa | inhouse | 50.000 2.039 | 1.95 | 99.9 / 99.8 | 10.6 / 10.7 | 9.5 | 17.9% / 23.2% | 3.9% / 3.6% (6.08 / 6.05) | 0.9991 / 0.999 | 0.60 | 26.8 / 31.8 | like for like |
|
||||
| hepes_x10sa_20keV | inhouse | 50.000 0.680 | 0.66 | 93.0 / 91.8 | 10.4 / 5.7 | 78.1 | 2.7% / 3.1% | 3.7% / 3.7% (2.04 / 2.00) | 0.9994 / 0.999 | 0.40 | 37.0 / 28.5 | like for like |
|
||||
| insu_H_x06da_notwin | inhouse | 50.000 1.544 | 1.41 | 98.7 / 97.4 | 4.8 / 3.5 | 15.5 | 6.0% / 6.8% | 4.3% / 4.5% (4.61 / 4.61) | 0.9988 / 0.998 | 0.48 | 20.6 / 17.7 | like for like |
|
||||
| insu_H_x06da_twin | inhouse | 50.000 1.455 | 1.38 | 96.8 / 95.0 | 4.5 / 3.6 | 8.0 | 12.8% / 11.8% | 10.9% / 10.6% (4.35 / 4.34) | 0.9865 / 0.988 | 1.08 | 6.2 / 6.8 | like for like |
|
||||
| insu_I_x06da_13keV | inhouse | 50.000 1.635 | 1.46 | 100.0 / 100.0 | 20.2 / 17.2 | 9.6 | 27.2% / 27.9% | 8.1% / 9.3% (4.88 / 4.85) | 0.9983 / 0.998 | 0.68 | 30.1 / 18.8 | like for like |
|
||||
| insu_I_x06da_5keV | inhouse | 50.000 2.450 | 2.43 | 95.7 / 91.7 | 15.4 / 11.2 | 33.9 | 6.2% / 7.3% | 4.4% / 4.8% (7.28 / 7.21) | 0.9994 / 0.999 | 0.40 | 27.9 / 17.5 | like for like |
|
||||
| insu_I_x06da_5keV_2 | inhouse | 50.000 2.450 | 2.43 | 96.3 / 91.8 | 15.9 / 12.7 | 29.3 | 7.4% / 7.6% | 5.1% / 4.8% (7.28 / 7.21) | 0.9994 / 0.999 | 0.40 | 32.1 / 20.0 | like for like |
|
||||
| insu_I_x06da_6keV | inhouse | 50.000 2.040 | 2.02 | 94.9 / 92.4 | 15.5 / 12.4 | 34.5 | 5.9% / 6.5% | 4.8% / 4.7% (6.08 / 6.03) | 0.9995 / 0.999 | 0.33 | 20.6 / 17.9 | like for like |
|
||||
| insu_I_x06da_low_isa | inhouse | 50.000 1.300 | 1.47 | 66.2 / 90.8 | 10.8 / 13.3 | 11.7 | 12.7% / 22.0% | 4.0% / 16.7% (3.89 / 3.92) | 0.9992 / 0.998 | 0.32 | 28.8 / 4.2 | coverage: own cut 1.47 A is coarser than the reference, 1 shell(s) not merged |
|
||||
| insu_I_x06da_ref | inhouse | 50.000 1.621 | 1.41 | 100.0 / 100.0 | 16.4 / 13.8 | 17.3 | 29.2% / 34.9% | 6.6% / 14.3% (4.84 / 4.82) | 0.9993 / 0.998 | 0.28 | 33.7 / 25.1 | like for like |
|
||||
| insu_I_x06da_weak | inhouse | 999.000 1.080 | 1.64 | 29.2 / 92.4 | 40.1 / 29.0 | 15.4 | 17.1% / 40.1% | 6.3% / 5.4% (3.24 / 3.22) | 0.9997 / 0.999 | 0.20 | 14.7 / 18.9 | coverage: own cut 1.64 A is coarser than the reference, 5 shell(s) not merged |
|
||||
| kdp_x10sa_20keV | inhouse | 50.000 0.740 | 0.66 | 100.0 / 99.2 | 10.3 / 6.1 | 44.8 | 5.3% / 24.1% | 4.8% / 17.2% (2.22 / 2.06) | 0.9987 / 0.969 | 0.04 | 24.9 / 4.1 | like for like |
|
||||
| lysoI_micromax_mono | inhouse | 50.000 1.650 | 1.37 | 100.0 / 100.0 | 6.5 / 6.8 | 21.7 | 5.8% / 6.8% | 3.0% / 2.8% (4.93 / 4.99) | 0.9994 / 0.999 | 0.40 | 38.4 / 31.4 | like for like |
|
||||
| lysoI_micromax_pink | inhouse | 50.000 1.650 | 1.39 | 100.0 / 100.0 | 6.5 / 6.8 | 20.2 | 6.6% / 7.9% | 3.2% / 2.8% (4.93 / 4.99) | 0.9993 / 0.999 | 0.47 | 36.5 / 29.2 | like for like |
|
||||
| lyso_micromax_mono | inhouse | 50.000 1.500 | 1.18 | 100.0 / 100.0 | 6.0 / 6.2 | 24.9 | 4.7% / 4.7% | 2.5% / 2.3% (4.48 / 4.54) | 0.9996 / 1.000 | 0.80 | 42.1 / 39.9 | like for like |
|
||||
| lyso_micromax_pink | inhouse | 50.000 1.450 | 1.20 | 99.9 / 99.9 | 5.8 / 6.0 | 21.8 | 4.9% / 5.1% | 2.4% / 2.2% (4.34 / 4.39) | 0.9995 / 1.000 | 1.00 | 42.1 / 37.4 | like for like |
|
||||
| lyso_x06da_5keV | inhouse | 50.000 2.450 | 2.44 | 88.0 / 86.4 | 11.1 / 8.8 | 34.2 | 5.7% / 6.4% | 5.4% / 4.7% (7.28 / 7.22) | 0.9991 / 0.998 | 0.36 | 26.9 / 19.4 | like for like |
|
||||
| lyso_x06da_atten_wedge | inhouse | 50.000 1.264 | 1.20 | 100.0 / 99.9 | 12.6 / 11.0 | 8.6 | 35.6% / 23.9% | 6.7% / 6.9% (3.78 / 3.76) | 0.9978 / 0.998 | 0.88 | 13.4 / 16.6 | like for like |
|
||||
| lyso_x06da_half_image | inhouse | 50.000 1.650 | 1.57 | 100.0 / 99.6 | 6.6 / 5.3 | 3.3 | 216.8% / 59.5% | 34.3% / 25.8% (4.93 / 4.91) | 0.8520 / 0.958 | 3.91 | 4.5 / 6.6 | like for like |
|
||||
| lyso_x06da_ice | inhouse | 50.000 1.431 | 1.33 | 100.0 / 100.0 | 10.5 / 11.9 | 9.3 | 16.6% / 21.9% | 4.7% / 5.5% (4.28 / 4.26) | 0.9986 / 0.998 | 0.56 | 23.3 / 23.3 | like for like |
|
||||
| lyso_x06da_ref | inhouse | 50.000 1.200 | 0.99 | 100.0 / 100.0 | 13.8 / 13.8 | 36.3 | 4.3% / 4.5% | 2.6% / 2.9% (3.59 / 3.58) | 0.9998 / 1.000 | 0.40 | 30.6 / 28.3 | like for like |
|
||||
| lyso_x10sa_90deg_1 | inhouse | 50.000 1.966 | 1.82 | 100.0 / 99.3 | 3.5 / 3.5 | 6.9 | 15.2% / 18.2% | 4.5% / 4.9% (5.86 / 5.83) | 0.9956 / 0.995 | 0.80 | 20.7 / 20.8 | like for like |
|
||||
| lyso_x10sa_90deg_2 | inhouse | 50.000 1.973 | 1.85 | 100.0 / 99.3 | 3.5 / 3.5 | 6.8 | 15.1% / 18.0% | 4.6% / 5.1% (5.88 / 5.86) | 0.9956 / 0.994 | 0.68 | 19.5 / 18.1 | like for like |
|
||||
| lyso_x10sa_strong | inhouse | 999.000 1.180 | 1.36 | 66.2 / 65.8 | 21.4 / 11.5 | 9.6 | 23.7% / 11.2% | 11.8% / 7.7% (3.54 / 3.52) | 0.9951 / 0.998 | 1.97 | 5.5 / 8.6 | coverage: own cut 1.36 A is coarser than the reference, 2 shell(s) not merged |
|
||||
| myob_x06da | inhouse | 50.000 1.422 | 1.24 | 99.8 / 99.4 | 3.5 / 3.5 | 7.2 | 12.7% / 23.2% | 4.4% / 10.5% (4.25 / 4.23) | 0.9963 / 0.987 | 0.27 | 23.9 / 7.6 | like for like |
|
||||
| myob_x06da_powder_1 | inhouse | 50.000 1.495 | 1.73 | 64.0 / 74.2 | 4.5 / 2.9 | 2.2 | 74.4% / 49.3% | 20.1% / 12.5% (4.47 / 4.44) | 0.5783 / 0.966 | 20.41 | 3.8 / 5.5 | coverage: own cut 1.73 A is coarser than the reference, 2 shell(s) not merged |
|
||||
| myob_x06da_powder_2 | inhouse | 999.000 0.990 | 1.47 | 30.7 / 58.0 | 5.5 / 4.7 | 0.8 | 174.0% / 110.6% | 54.2% / 70.6% (2.97 / 2.98) | 0.7832 / 0.655 | 0.52 | 2.3 / 2.2 | coverage: own cut 1.47 A is coarser than the reference, 4 shell(s) not merged |
|
||||
| myob_x06da_sparse | inhouse | 50.000 2.000 | 1.78 | 100.0 / 73.7 | 5.4 / 5.2 | 3.8 | 34.1% / 32.6% | 12.9% / 14.6% (5.96 / 5.92) | 0.9501 / 0.972 | 1.79 | 4.8 / 5.5 | like for like |
|
||||
| myob_x06da_split | inhouse | 50.000 1.506 | 1.86 | 53.8 / 77.7 | 5.7 / 4.4 | 1.9 | 78.2% / 57.7% | 22.1% / 9.1% (4.50 / 4.48) | 0.6999 / 0.984 | 25.56 | 2.7 / 12.4 | coverage: own cut 1.86 A is coarser than the reference, 3 shell(s) not merged |
|
||||
| myob_x10sa | inhouse | 50.000 1.742 | 1.56 | 98.1 / 97.7 | 3.2 / 3.3 | 6.1 | 15.4% / 24.7% | 7.7% / 18.6% (5.20 / 5.16) | 0.9900 / 0.965 | 0.27 | 11.3 / 5.2 | like for like |
|
||||
| thau_bl1a_3p8keV | inhouse | 100.000 3.100 | 3.02 | 93.6 / 92.2 | 9.1 / 7.9 | 31.9 | 6.1% / 5.7% | 5.5% / 3.9% (9.26 / 9.23) | 0.9973 / 0.997 | 0.77 | 31.5 / 30.8 | like for like |
|
||||
| thau_bl1a_4p6keV | inhouse | 100.000 2.530 | 2.47 | 93.2 / 92.0 | 9.1 / 7.9 | 26.9 | 6.5% / 6.2% | 5.1% / 3.9% (7.57 / 7.56) | 0.9978 / 0.998 | 0.88 | 35.1 / 35.6 | like for like |
|
||||
| thau_bl1a_6p5keV | inhouse | 100.000 1.780 | 1.74 | 93.2 / 91.8 | 9.0 / 8.0 | 19.5 | 7.3% / 7.2% | 4.7% / 4.1% (5.33 / 5.33) | 0.9988 / 0.999 | 0.80 | 43.0 / 34.5 | like for like |
|
||||
| thau_micromax_pink | inhouse | 50.000 1.400 | 1.24 | 99.0 / 98.5 | 9.5 / 9.4 | 15.3 | 8.7% / 8.0% | 4.9% / 4.0% (4.19 / 4.17) | 0.9991 / 0.999 | 0.60 | 15.8 / 21.2 | like for like |
|
||||
| thau_x10sa_0p1deg | inhouse | 50.000 2.197 | 1.89 | 99.5 / 99.0 | 11.4 / 11.4 | 12.3 | 13.8% / 23.0% | 6.7% / 10.4% (6.54 / 6.51) | 0.9980 / 0.997 | 0.57 | 10.9 / 9.2 | like for like |
|
||||
| thau_x10sa_16keV | inhouse | 50.000 1.300 | 1.22 | 94.3 / 94.3 | 18.5 / 18.4 | 24.7 | 7.1% / 7.2% | 2.9% / 2.7% (3.89 / 3.89) | 0.9997 / 1.000 | 0.60 | 51.2 / 44.5 | like for like |
|
||||
| thau_x10sa_injection | inhouse | 50.000 1.280 | 1.26 | 86.3 / 86.2 | 10.1 / 10.0 | 37.2 | 3.9% / 3.7% | 2.6% / 2.2% (3.83 / 3.83) | 0.9998 / 1.000 | 0.40 | 32.9 / 36.2 | like for like |
|
||||
| yag_x10sa_20keV | inhouse | 50.000 0.680 | 0.66 | 99.6 / 99.0 | 36.3 / 28.4 | 21.6 | 40.2% / 43.2% | 44.7% / 43.6% (2.04 / 1.99) | 0.8981 / 0.947 | 2.01 | 2.9 / 3.2 | like for like |
|
||||
|
||||
Data quality is not scored; this table is for a human to judge. CC1/2 = S / (S + E) (signal and half-set error variances), so 1 / CC1/2 - 1 = E / S is the half-set noise; the noise ratio is rugnux's over XDS's, with XDS's CC1/2 taken at the bottom of its printed rounding (-0.0005); 2 would mean noisier than XDS's merge with half its observations. The low-resolution R_meas is the lowest shell of each table (the shells are XDS's, so both cover the same reflections); reported like everything here.
|
||||
|
||||
### Small molecules: SHELXL refinement of the published structure
|
||||
|
||||
The set's structure from the Crystallography Open Database (COD id) refined against our p.hkl by SHELXL with one fixed recipe (shelx_check.py: data reindexed into the COD setting, non-H anisotropic, H fixed at the COD positions, EXTI refined, three rounds with the weights SHELXL suggests, MERG 2), the way a chemical crystallographer judges data. WGHT a near its 0.2 ceiling and a large EXTI mean the strong reflections or the sigmas are off; K top is <Fo2>/<Fc2> of SHELXL's strongest analysis-of-variance bin (below 1: strong reflections read low). Fixed-model R1(F) scores the data against |Fc| of the COD model as published, one scale, nothing refined. R(int) means something only for unmerged data. Reported, never scored.
|
||||
|
||||
| set | arm | COD | own d_min | R1 >4sig (n) | wR2 | GooF | EXTI | WGHT a / b | peak / hole e/A3 | R(int) / R(sigma) | K top | fixed-model R1(F) | status |
|
||||
|:--|:--|:--|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|:--|
|
||||
| cytidine | open | 2001311 | 0.58 | 0.0644 (3507) | 0.1842 | 1.074 | 0.072 | 0.040 / 0.16 | 0.29 / -0.25 | 0.0854 / 0.0893 | 1.025 | 0.1168 | ok |
|
||||
| dnba | open | 4510615 | 0.81 | 0.0269 (1171) | 0.0710 | 1.070 | 0.003 | 0.031 / 1.86 | 0.21 / -0.21 | 0.0196 / 0.0215 | 1.009 | 0.0791 | ok |
|
||||
| lalanine | open | 2311261 | 0.65 | 0.0318 (1074) | 0.0966 | 1.149 | 0.000 | 0.056 / 0.08 | 0.21 / -0.24 | 0.0187 / 0.0229 | 1.019 | 0.0429 | ok |
|
||||
| metformin | open | 2108029 | 0.51 | 0.0326 (4456) | 0.1031 | 1.123 | 0.000 | 0.047 / 0.38 | 0.64 / -0.37 | 0.0285 / 0.0205 | 1.011 | 0.0379 | ok |
|
||||
| nidppe | open | 2012031 | 0.51 | 0.0420 (9286) | 0.1051 | 1.038 | 0.004 | 0.039 / 0.54 | 0.63 / -0.71 | 0.0738 / 0.0533 | 0.993 | 0.1541 | ok |
|
||||
| aspirin_x10sa_20keV | inhouse | 7050897 | 0.66 | 0.0370 (2286) | 0.1152 | 1.129 | 0.010 | 0.059 / 0.31 | 0.40 / -0.38 | 0.0274 / 0.0173 | 1.006 | 0.0821 | ok |
|
||||
| aspirin_x10sa_25keV | inhouse | 7050897 | 0.53 | 0.0361 (4375) | 0.1188 | 1.074 | 0.011 | 0.073 / 0.10 | 0.59 / -0.45 | 0.0286 / 0.0182 | 1.008 | 0.0942 | ok |
|
||||
| citricacid_x10sa_20keV | inhouse | 5000063 | 0.67 | 0.0393 (2086) | 0.1062 | 1.099 | 0.179 | 0.052 / 0.39 | 0.40 / -0.26 | 0.0368 / 0.0289 | 1.013 | 0.2734 | ok |
|
||||
| hepes_x10sa_20keV | inhouse | 2224210 | 0.66 | 0.0307 (3355) | 0.0862 | 1.061 | 0.048 | 0.051 / 0.70 | 0.42 / -0.53 | 0.0260 / 0.0127 | 1.013 | 0.0424 | ok |
|
||||
| kdp_x10sa_20keV | inhouse | 9009999 | 0.66 | 0.0475 (305) | 0.1206 | 1.379 | 0.027 | 0.000 / 6.36 | 0.80 / -0.74 | 0.0521 / 0.0250 | 0.990 | 0.2661 | ok |
|
||||
| lcystine_x10sa_20keV | inhouse | 1513328 | 0.67 | 0.1249 (1153) | 0.3484 | 1.072 | 0.000 | 0.188 / 5.89 | 0.93 / -0.77 | 0.4084 / 0.1560 | 1.199 | 0.1758 | ok |
|
||||
| lcystine_x10sa_25keV | inhouse | 1513328 | 0.53 | 0.1117 (2019) | 0.3235 | 1.128 | 0.000 | 0.163 / 1.08 | 1.59 / -1.98 | 0.3961 / 0.1547 | 1.119 | 0.2389 | ok |
|
||||
| yag_x10sa_20keV | inhouse | 2003066 | 0.66 | 0.1005 (245) | 0.2385 | 1.110 | 0.533 | 0.177 / 23.16 | 2.74 / -4.37 | 0.5137 / 0.1066 | 0.871 | 0.1684 | ok |
|
||||
|
||||
XDS merged past its own signal (CC1/2 of its finest shell not significant), so the reference d_min is where XDS's CC1/2 falls through 0.30, and that is also the d_min of the reference-range table: cytc_x10sa (XDS range 2.04 A, reference 2.27 A); insu_I_x06da_weak (XDS range 1.08 A, reference 1.81 A); lyso_x10sa_strong (XDS range 1.18 A, reference 1.24 A). XDS's pooled R_meas, CC1/2 and completeness are over its whole range.
|
||||
|
||||
### Failures
|
||||
|
||||
| set | arm | cause | reason |
|
||||
|:--|:--|:--|:--|
|
||||
| 3r6o | open | sym_over | I 41 2 2 vs reference I 41 |
|
||||
| 5cc8 | open | sym_screw | P 21 21 21 vs reference P 21 21 2 |
|
||||
| 5ebi | open | sym_over | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 9hnc | open | sym_screw | P 1 21 1 vs reference P 1 2 1 |
|
||||
| 5ky6 | open | sym_screw | P 1 2 1 vs reference P 1 21 1 |
|
||||
| 8c3e | open | sym_over | P 6 2 2 vs reference P 31 2 1 |
|
||||
| 4bwl | open | sym_over | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 2wnq | open | sym_over | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 2ygz | open | sym_over | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 6oww | open | sym_over | P 41 21 2 vs reference P 1 21 1 |
|
||||
|
||||
Not scored: 7k1l (P 6 vs reference P 63: the screw along c is undeterminable from these data (offered P 61 | P 65 | P 62 | P 64 | P 63)); 7mzt (P 21 21 21 vs reference P 21 21 2: the screw along c is undeterminable from these data (offered P 21 21 2)); cuhf2 (no reference to score against)
|
||||
|
||||
### Accepted alternatives
|
||||
|
||||
4 of the passes above are rows that accept more than one reference: the deposition and our reduction disagree, the disagreement is real, and no test available to us settles it, so either answer passes as long as the program picks one of them. These are open questions, not errors attributed to the deposition; the manifest's `ref` keeps the deposited values verbatim in every one of them.
|
||||
|
||||
- 6pxb (open): we report P 31 1 2, the reference is P 32; accepted as P 32 1 2. The deposition merged in point group 3 (its 55502 unique reflections to 1.747 A are what Laue class -3 holds, twice what -3 1 m would) and refined six chains in P 32. The intensities read point group 312 instead: the three added two-folds correlate at 0.98-0.99, at or above the three-folds nobody disputes (0.98), against 0.37-0.40 for the 321 and 622 operators, POINTLESS on our P1 merge picks P -3 1 m (likelihood 1.000), and the reflections centric in 312 but not in 3 are distributed as centric (+435 nats), which a twin law cannot produce. Against that, the deposited chains pair under the added two-fold at 0.3-0.7 A, more than coordinate error at 1.75 A, and the model tells the two indexings apart (R 0.22 against 0.25), so the two-fold may be a near-exact non-crystallographic one; ZANUDA settles on P 32 2 1, whose operators these data do not support. Neither answer is established, so both are accepted; P 31 1 2, which the data cannot separate from P 32 1 2, is accepted as its hand
|
||||
- 6toc (open): we report P 42 2 2, the reference is P 42; accepted as P 42 2 2. Our reduction and an independent POINTLESS run on our own P1 merge both read point group 422, and the deposited asymmetric unit's two chains are related by the very two-fold the higher group adds, to 0.16 A CA RMSD over 43 residues - coordinate error at 1.85 A. Merging in P 42 2 2 costs 0.0006 in R_meas for 1.75x the multiplicity and correlates better with the deposited model (0.9802 vs 0.9764). The refinement test is NOT unanimous: ZANUDA 1.097 refines P 42 2 2 to R-free 0.2561 against P 42's 0.2636 at half the parameters and reports the deposited assignment incorrect, while an independent Refmac 5.8.0431 comparison on a symmetry-consistent free set puts P 42 ahead by 0.004-0.020 depending on cycle count - less than the spread between refinement protocols. Neither answer is established: a pseudo-symmetry too exact for any test we have remains a live explanation, and so does the deposited assignment. Either is accepted
|
||||
- 8xte (open): we report P 31 2 1, the reference is P 32; accepted as P 31 2 1. The evidence favours the higher group here. The twin-immune centric zone of the added two-folds - reflections the higher group makes centric, which are their own twin mates and so cannot be made to read centric by a merohedral twin law - gives <|E^2-1|> = 0.946 +/- 0.012 against a centric expectation of 0.968 and an acentric 0.736, at +707 nats. Re-refinement on a shared free set with the twin law removed from both sides favours P 3_2 2 1 (0.2177/0.2322) over P 3_2 (0.2460/0.2612), and the deposited entry's published R values reproduce only with an undeclared twin law h,-h-k,-l at alpha = 0.50, which is itself a 321-symmetric target. No refinement R can close the question in principle, because a merohedral twin at exactly alpha = 0.5 and true 321 predict identical intensities; the case rests on the centric zone. Both answers are accepted, ours being the better supported
|
||||
- 8xtg (open): we report P 31 2 1, the reference is P 32; accepted as P 31 2 1. The evidence favours the DEPOSITION here, and this row must not be read as the 8xte one. Every correlation-based instrument we have - our own operator correlations, POINTLESS (0.85 on our P1 merge) - reads point group 321, but our own twin-immune centric-zone test, the only one that separates real symmetry from pseudo-symmetry, read <|E^2-1|> = 0.869 at -44.9 nats against the promotion when it assumed an untwinned zone; read at the fraction of the crystal's other twin laws (rc174) it now favours the promotion, with an L-test twin fraction of 0.20-0.26. Whether this crystal is partially twinned or purely pseudo-symmetric is not established. Both answers are accepted, the deposition being the better supported
|
||||
|
||||
### Per set
|
||||
|
||||
Space group: on the open arm the data's own determination. Where --model put the model's enantiomorph on the label, the label is in the note and the group scored is the search's.
|
||||
|
||||
R_free and R_work describe one run against its model and do not carry across runs: the model is scaled to the data by an overall factor and an anisotropic B, so whatever the amplitudes' radial profile does that this shape cannot follow is reported as R, and a change in the profile alone moves R_free further than a real change in the data does. R_model (shell-scaled) is the same R with one free scale per resolution shell removing exactly that, over every reflection rather than the free 5%, and it is the column to read in a delta table. Radial misfit is how big that per-shell rescale had to be (the RMS of its logarithm): when it moves between two runs, R_free between them means little. Both are reported for a human to judge; nothing is scored on them.
|
||||
|
||||
Anom. sigma is the anomalous difference map (F+ - F- on the model's phases) read at the model's anomalous scatterers - every atom from phosphorus up: the S of Met and Cys, metals, Cl, I - and averaged, in units of the map's r.m.s.: how much anomalous signal the merge carries, on the model's yardstick. Reported, never scored.
|
||||
|
||||
| set | arm | verdict | space group | ref | cell dev % | V ratio | d_min | ref d_min | gain | compl % | mult | R_meas | low-res R_meas | CC1/2 | ISa | ref ISa | idx | R_model (shell-scaled) | radial misfit | CC model | R_free (within-run) | R_work | dep R_free | R_free ratio | anom. sigma | dCC dep. outer | model fit | time s | note |
|
||||
|:--|:--|:--|:--|:--|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|:--|
|
||||
| 11if | open | pass | P 41 | P 43 | 0.14 | 0.998 | 1.36 | 1.51 | +9.9% | 88.6 | 11.1 | 4.8% | 2.8% | 1.000 | 26.1 | - | - | 0.192 | 0.140 | 0.966 | 0.189 | 0.198 | 0.210 | 0.899 | 3.090 | 0.020 | ACCEPTED | 12 | P 41 vs reference P 43 (hand only (needs anomalous)); labelled P 43 from the model |
|
||||
| 2wnn | open | pass | P 1 21 1 | P 1 21 1 | 0.09 | 1.003 | 1.43 | 1.65 | +13.3% | 72.2 | 3.6 | 6.7% | 4.2% | 0.998 | 15.2 | - | - | 0.279 | 0.187 | 0.914 | 0.287 | 0.284 | 0.249 | 1.154 | 1.040 | -0.348 | NOT_TESTED | 43 | |
|
||||
| 2wnq | open | fail | C 2 2 21 | P 1 21 1 | 68.38 | 0.996 | 1.65 | 1.80 | +8.4% | 96.8 | 7.1 | 11.0% | 5.8% | 0.997 | 10.6 | - | - | 0.535 | 0.183 | 0.333 | 0.537 | 0.544 | 0.253 | 2.121 | -0.010 | -0.549 | NOT_TESTED | 35 | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 2wnz | open | pass | P 1 21 1 | P 1 21 1 | 0.20 | 1.002 | 1.83 | 1.85 | +0.9% | 99.6 | 3.7 | 11.1% | 3.6% | 0.997 | 17.4 | - | - | 0.203 | 0.222 | 0.937 | 0.229 | 0.232 | 0.225 | 1.015 | 1.000 | -0.331 | ACCEPTED | 31 | |
|
||||
| 2xfw | open | pass | P 1 21 1 | P 1 21 1 | 0.06 | 1.000 | 1.54 | 1.65 | +6.8% | 99.7 | 3.7 | 14.1% | 4.1% | 0.996 | 15.3 | - | - | 0.198 | 0.159 | 0.953 | 0.219 | 0.217 | 0.182 | 1.204 | 1.180 | -0.451 | ACCEPTED | 60 | |
|
||||
| 2ygz | open | fail | C 2 2 21 | P 1 21 1 | 39.55 | 0.999 | 1.71 | 1.80 | +5.0% | 99.7 | 14.5 | 25.3% | 10.7% | 0.993 | 4.3 | - | - | - | - | - | - | - | - | - | - | - | - | 36 | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 36gk | open | pass | I 2 2 2 | I 2 2 2 | 0.08 | 0.999 | 2.10 | 2.28 | +7.8% | 99.7 | 13.8 | 15.8% | 7.4% | 0.998 | 11.6 | - | - | 0.202 | 0.115 | 0.950 | 0.203 | 0.212 | 0.223 | 0.913 | 2.810 | 0.015 | NOT_TESTED | 40 | |
|
||||
| 3inp | open | pass | F 41 3 2 | F 41 3 2 | 0.04 | 1.001 | 1.70 | 2.05 | +17.0% | 99.7 | 18.7 | 10.5% | 5.5% | 0.999 | 13.2 | - | - | 0.237 | 0.083 | 0.945 | 0.239 | 0.240 | 0.177 | 1.352 | 3.150 | 0.003 | NOT_TESTED | 30 | |
|
||||
| 3ky7 | open | pass | P 43 3 2 | P 43 3 2 | 0.03 | 1.001 | 1.92 | 2.35 | +18.3% | 99.7 | 25.7 | 10.6% | 5.8% | 0.999 | 12.2 | - | - | 0.339 | 0.051 | 0.899 | 0.334 | 0.341 | 0.255 | 1.310 | 0.380 | 0.002 | NOT_TESTED | 18 | |
|
||||
| 3mc4 | open | pass | R 3:H | H 3 | 0.15 | 0.997 | 1.75 | 1.95 | +10.0% | 77.2 | 3.3 | 9.8% | 8.0% | 0.995 | 12.7 | - | - | 0.247 | 0.053 | 0.903 | 0.248 | 0.249 | 0.156 | 1.590 | 1.590 | -0.327 | ACCEPTED | 11 | |
|
||||
| 3meb | open | pass | P 1 21 1 | P 1 21 1 | 0.92 | 0.982 | 1.70 | 1.90 | +10.3% | 43.2 | 2.1 | 14.6% | 9.9% | 0.987 | 13.2 | - | - | 0.203 | 0.129 | 0.952 | 0.206 | 0.207 | 0.214 | 0.965 | -0.300 | -0.133 | NOT_TESTED | 10 | |
|
||||
| 3p85 | open | pass | P 63 2 2 | P 63 2 2 | 0.47 | 1.007 | 1.62 | 1.90 | +14.7% | 86.4 | 10.8 | 11.8% | 9.4% | 0.998 | 8.6 | - | - | 0.203 | 0.147 | 0.952 | 0.206 | 0.210 | 0.216 | 0.954 | 8.970 | -0.380 | NOT_TESTED | 17 | |
|
||||
| 3r6o | open | fail | I 41 2 2 | I 41 | 0.51 | 0.988 | 1.53 | 1.95 | +21.4% | 42.9 | 7.2 | 20.3% | 17.9% | 0.986 | 4.2 | - | - | 0.296 | 0.657 | 0.814 | 0.298 | 0.298 | 0.185 | 1.609 | 1.480 | -0.643 | NOT_TESTED | 9 | I 41 2 2 vs reference I 41 |
|
||||
| 4bwl | open | fail | C 2 2 21 | P 1 21 1 | 72.05 | 1.004 | 1.68 | 2.00 | +15.9% | 99.4 | 7.0 | 14.6% | 6.0% | 0.998 | 13.7 | - | - | 0.522 | 0.126 | 0.387 | 0.530 | 0.525 | 0.235 | 2.257 | 0.140 | -0.522 | NOT_TESTED | 33 | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 4mtk | open | pass | P 61 | P 61 | 0.02 | 1.000 | 2.87 | 3.32 | +13.7% | 99.3 | 8.8 | 21.5% | 5.7% | 0.991 | 15.6 | - | - | 0.219 | 0.159 | 0.897 | 0.243 | 0.241 | 0.195 | 1.242 | 0.370 | 0.019 | NOT_TESTED | 34 | |
|
||||
| 4nwv | open | pass | I 2 2 2 | I 2 2 2 | 0.31 | 1.009 | 2.94 | 3.25 | +9.5% | 98.9 | 4.3 | 47.0% | 10.6% | 0.968 | 8.4 | - | - | 0.293 | 0.079 | 0.824 | 0.297 | 0.298 | 0.279 | 1.065 | 0.440 | -0.028 | ACCEPTED | 159 | |
|
||||
| 4p8r | open | pass | P 61 2 2 | P 65 2 2 | 0.06 | 0.998 | 2.02 | 2.20 | +8.0% | 89.5 | 12.3 | 15.2% | 15.8% | 0.995 | 7.2 | - | - | 0.175 | 0.197 | 0.892 | 0.216 | 0.218 | 0.197 | 1.093 | 1.080 | -0.018 | ACCEPTED | 68 | P 61 2 2 vs reference P 65 2 2 (hand only (needs anomalous)); labelled P 65 2 2 from the model |
|
||||
| 5cc8 | open | fail | P 21 21 21 | P 21 21 2 | 0.10 | 1.000 | 1.53 | 1.75 | +12.7% | 44.9 | 4.1 | 7.9% | 6.9% | 0.997 | 11.2 | - | - | 0.171 | 0.251 | 0.957 | 0.185 | 0.179 | 0.194 | 0.958 | 4.880 | 0.041 | ACCEPTED | 11 | P 21 21 21 vs reference P 21 21 2 |
|
||||
| 5ebi | open | fail | C 2 2 21 | P 1 21 1 | 40.36 | 1.001 | 0.86 | 1.09 | +20.8% | 99.4 | 6.8 | 12.2% | 7.2% | 0.998 | 10.9 | - | - | 0.580 | 0.132 | 0.338 | 0.572 | 0.585 | 0.169 | 3.386 | -0.100 | 0.023 | REJECTED | 22 | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 5epe | open | pass | F 2 3 | F 2 3 | 0.03 | 0.999 | 1.75 | 1.90 | +7.7% | 99.7 | 13.8 | 26.0% | 6.5% | 0.997 | 11.1 | - | - | 0.179 | 0.117 | 0.969 | 0.183 | 0.186 | 0.167 | 1.093 | 9.540 | -0.103 | ACCEPTED | 24 | |
|
||||
| 5f6m | open | pass | P 21 21 21 | P 21 21 21 | 0.08 | 1.002 | 1.09 | 1.10 | +1.0% | 78.8 | 4.0 | 5.1% | 3.7% | 0.999 | 23.0 | - | - | 0.152 | 0.131 | 0.972 | 0.165 | 0.160 | 0.154 | 1.065 | 6.060 | -0.059 | NOT_TESTED | 10 | |
|
||||
| 5j23 | open | pass | R 3:H | H 3 | 0.15 | 0.997 | 2.20 | 2.30 | +4.3% | 99.7 | 5.2 | 14.8% | 6.0% | 0.996 | 11.5 | - | - | 0.226 | 0.125 | 0.937 | 0.232 | 0.235 | 0.169 | 1.375 | 0.830 | 0.323 | ACCEPTED | 26 | |
|
||||
| 5jk4 | open | pass | P 1 21 1 | P 1 21 1 | 0.15 | 1.000 | 0.96 | 1.10 | +12.3% | 75.2 | 3.9 | 9.1% | 4.2% | 0.998 | 14.5 | - | - | 0.111 | 0.153 | 0.980 | 0.128 | 0.125 | 0.125 | 1.026 | 3.680 | 0.022 | NOT_TESTED | 14 | |
|
||||
| 5jvn | open | pass | P 6 2 2 | P 6 2 2 | 0.03 | 0.999 | 2.23 | 2.90 | +22.9% | 98.6 | 16.8 | 16.5% | 5.4% | 0.998 | 14.9 | - | - | 0.228 | 0.125 | 0.886 | 0.246 | 0.246 | 0.235 | 1.047 | 1.390 | 0.086 | NOT_TESTED | 30 | |
|
||||
| 5ky6 | open | fail | P 1 2 1 | P 1 21 1 | 1.03 | 0.981 | 1.50 | 1.94 | +22.7% | 83.0 | 2.5 | 18.7% | 10.0% | 0.987 | 6.9 | - | - | 0.245 | 0.175 | 0.933 | 0.263 | 0.259 | 0.223 | 1.179 | 0.680 | -0.212 | NOT_TESTED | 21 | P 1 2 1 vs reference P 1 21 1 |
|
||||
| 5lzl | open | pass | P 31 2 1 | P 31 2 1 | 0.37 | 0.990 | 2.89 | 3.47 | +16.8% | 95.6 | 9.0 | 18.5% | 5.0% | 0.997 | 14.6 | - | - | 0.222 | 0.140 | 0.877 | 0.229 | 0.234 | 0.250 | 0.917 | 1.270 | -0.037 | NOT_TESTED | 14 | |
|
||||
| 5m17 | open | pass | I 4 | I 4 | 0.10 | 0.998 | 0.98 | 1.03 | +4.7% | 92.3 | 6.0 | 5.5% | 5.1% | 0.996 | 16.1 | - | - | 0.132 | 0.216 | 0.961 | 0.158 | 0.157 | 0.130 | 1.214 | 7.030 | -0.031 | ACCEPTED | 68 | |
|
||||
| 5mln | open | pass | P 21 21 2 | P 21 2 21 | 0.25 | 0.998 | 1.27 | 1.60 | +20.7% | 99.7 | 8.1 | 10.4% | 3.6% | 0.999 | 21.0 | - | - | 0.182 | 0.151 | 0.949 | 0.189 | 0.198 | 0.180 | 1.053 | 2.070 | -0.012 | ACCEPTED | 23 | |
|
||||
| 5nw5 | open | pass | P 21 21 21 | P 21 21 21 | 0.24 | 0.996 | 7.04 | 6.50 | -8.3% | 99.6 | 6.3 | 32.8% | 14.5% | 0.937 | 8.4 | - | - | 0.324 | 0.134 | 0.849 | 0.364 | 0.331 | 0.277 | 1.318 | 0.060 | 0.031 | NOT_TESTED | 25 | |
|
||||
| 5ojv | open | pass | P 21 21 2 | P 21 21 2 | 0.50 | 0.993 | 1.85 | 2.06 | +10.2% | 98.6 | 6.5 | 14.5% | 4.8% | 0.982 | 12.6 | - | - | 0.174 | 0.151 | 0.959 | 0.186 | 0.191 | 0.194 | 0.962 | 1.490 | -0.003 | NOT_TESTED | 43 | |
|
||||
| 5reo | open | pass | C 1 2 1 | C 1 2 1 | 0.36 | 1.010 | 1.64 | 1.88 | +12.8% | 99.4 | 3.0 | 23.6% | 8.0% | 0.989 | 23.0 | - | - | 0.205 | 0.056 | 0.960 | 0.201 | 0.208 | 0.227 | 0.888 | 0.720 | -0.034 | NOT_TESTED | 8 | |
|
||||
| 5src | open | pass | P 41 | P 43 | 0.15 | 0.998 | 0.97 | 1.05 | +7.8% | 99.0 | 6.2 | 5.7% | 3.1% | 0.999 | 19.4 | - | - | 0.161 | 0.189 | 0.962 | 0.182 | 0.180 | 0.175 | 1.040 | 5.980 | 0.033 | ACCEPTED | 30 | P 41 vs reference P 43 (hand only (needs anomalous)); labelled P 43 from the model |
|
||||
| 5t39 | open | pass | P 1 21 1 | P 1 21 1 | 0.17 | 1.004 | 1.00 | 1.10 | +8.9% | 89.9 | 4.2 | 7.3% | 4.4% | 0.998 | 16.1 | - | - | 0.151 | 0.079 | 0.956 | 0.156 | 0.154 | 0.154 | 1.016 | 6.350 | -0.054 | NOT_TESTED | 26 | |
|
||||
| 5uth | open | pass | P 31 2 1 | P 31 2 1 | 0.23 | 0.994 | 1.72 | 1.95 | +11.7% | 82.7 | 8.4 | 11.8% | 7.1% | 0.998 | 10.1 | - | - | 0.189 | 0.200 | 0.955 | 0.211 | 0.203 | 0.202 | 1.043 | 3.520 | -0.015 | ACCEPTED | 9 | |
|
||||
| 5vml | open | pass | P 42 21 2 | P 42 21 2 | 0.06 | 0.999 | 1.91 | 1.70 | -12.1% | 80.3 | 7.4 | 9.6% | 9.4% | 0.997 | 11.6 | - | - | 0.144 | 0.076 | 0.964 | 0.153 | 0.147 | 0.171 | 0.896 | 4.130 | -0.028 | NOT_TESTED | 10 | |
|
||||
| 6cdl | open | pass | P 21 21 2 | P 21 21 2 | 0.94 | 1.013 | 1.13 | 1.25 | +9.8% | 71.5 | 6.6 | 8.5% | 6.9% | 0.996 | 10.0 | - | - | 0.147 | 0.149 | 0.950 | 0.154 | 0.153 | 0.181 | 0.851 | 4.360 | -0.017 | NOT_TESTED | 34 | |
|
||||
| 6cee | open | pass | P 21 21 21 | P 21 21 21 | 0.05 | 1.001 | 1.38 | 1.55 | +10.8% | 87.8 | 6.1 | 5.4% | 3.5% | 0.999 | 24.1 | - | - | 0.166 | 0.131 | 0.952 | 0.174 | 0.182 | 0.169 | 1.030 | 8.930 | 0.001 | NOT_TESTED | 10 | |
|
||||
| 6cs9 | open | pass | P 1 21 1 | P 1 21 1 | 0.07 | 0.999 | 1.71 | 1.85 | +7.8% | 90.1 | 3.8 | 10.1% | 4.3% | 0.998 | 12.9 | - | - | 0.211 | 0.146 | 0.903 | 0.206 | 0.227 | 0.227 | 0.908 | 0.790 | 0.010 | NOT_TESTED | 10 | |
|
||||
| 6f3p | open | pass | C 1 2 1 | C 1 2 1 | 0.21 | 0.994 | 1.15 | 1.35 | +14.9% | 99.7 | 3.7 | 10.0% | 5.4% | 0.997 | 9.3 | - | - | 0.143 | 0.196 | 0.967 | 0.166 | 0.166 | 0.127 | 1.305 | -3.320 | 0.013 | NOT_TESTED | 44 | |
|
||||
| 6fid | open | pass | P 21 21 21 | P 21 21 21 | 0.40 | 1.007 | 1.98 | 2.20 | +10.1% | 72.9 | 12.5 | 9.6% | 10.3% | 0.998 | 13.5 | - | - | 0.193 | 0.057 | 0.944 | 0.197 | 0.199 | 0.220 | 0.899 | 11.290 | -0.018 | NOT_TESTED | 18 | |
|
||||
| 6fvz | open | pass | C 2 2 2 | C 2 2 2 | 0.18 | 0.996 | 1.48 | 1.80 | +17.7% | 99.4 | 6.7 | 24.5% | 5.1% | 0.996 | 20.8 | - | - | 0.198 | 0.091 | 0.954 | 0.202 | 0.206 | 0.199 | 1.019 | 1.330 | -0.005 | NOT_TESTED | 39 | |
|
||||
| 6fwc | open | pass | C 2 2 2 | C 2 2 2 | 0.04 | 0.999 | 1.41 | 1.70 | +16.9% | 94.7 | 4.0 | 16.4% | 4.3% | 0.995 | 27.3 | - | - | 0.188 | 0.098 | 0.959 | 0.196 | 0.198 | 0.189 | 1.037 | 1.450 | 0.018 | NOT_TESTED | 22 | |
|
||||
| 6g1f | open | pass | C 1 2 1 | C 1 2 1 | 0.06 | 0.999 | 1.98 | 2.25 | +12.1% | 99.6 | 3.8 | 11.2% | 3.8% | 0.997 | 20.8 | - | - | 0.206 | 0.112 | 0.953 | 0.218 | 0.217 | 0.211 | 1.038 | 1.040 | 0.013 | NOT_TESTED | 34 | |
|
||||
| 6gvk | open | pass | C 1 2 1 | C 1 2 1 | 0.13 | 0.997 | 1.42 | 1.55 | +8.5% | 99.7 | 6.7 | 5.3% | 3.3% | 0.999 | 19.5 | - | - | 0.201 | 0.182 | 0.952 | 0.215 | 0.213 | 0.210 | 1.025 | 2.030 | -0.006 | NOT_TESTED | 23 | |
|
||||
| 6h2p_1p89A | open | pass | C 2 2 21 | C 2 2 21 | 0.08 | 0.998 | 1.76 | - | - | 87.8 | 10.2 | 8.7% | 5.3% | 0.999 | 22.6 | - | - | 0.144 | 0.073 | 0.971 | 0.149 | 0.148 | 0.170 | 0.876 | 9.050 | 0.026 | NOT_TESTED | 27 | |
|
||||
| 6h2p_native | open | pass | C 2 2 21 | C 2 2 21 | 0.06 | 0.999 | 1.32 | 1.48 | +10.8% | 99.5 | 6.6 | 13.6% | 4.0% | 0.999 | 19.8 | - | - | 0.160 | 0.069 | 0.973 | 0.165 | 0.165 | 0.170 | 0.968 | 3.320 | 0.042 | NOT_TESTED | 39 | |
|
||||
| 6h5t | open | pass | I 4 2 2 | I 4 2 2 | 0.40 | 0.991 | 1.45 | 1.69 | +13.9% | 99.1 | 7.3 | 14.7% | 8.3% | 0.996 | 9.3 | - | - | 0.197 | 0.209 | 0.941 | 0.225 | 0.221 | 0.191 | 1.179 | 9.050 | -0.014 | NOT_TESTED | 14 | |
|
||||
| 6hv2 | open | pass | P 61 2 2 | P 61 2 2 | 0.06 | 0.999 | 1.40 | 1.71 | +18.0% | 99.7 | 28.9 | 19.8% | 5.4% | 1.000 | 14.6 | - | - | 0.219 | 0.262 | 0.948 | 0.239 | 0.241 | 0.263 | 0.908 | 7.840 | -0.004 | NOT_TESTED | 29 | |
|
||||
| 6hwj | open | pass | P 1 21 1 | P 1 21 1 | 0.10 | 1.001 | 1.70 | 1.98 | +13.9% | 97.5 | 3.5 | 9.2% | 2.5% | 0.999 | 39.0 | - | - | 0.189 | 0.102 | 0.960 | 0.190 | 0.196 | 0.214 | 0.887 | 1.500 | 0.052 | NOT_TESTED | 15 | |
|
||||
| 6i3j | open | pass | F 2 2 2 | F 2 2 2 | 0.17 | 1.000 | 2.33 | 2.59 | +10.1% | 98.9 | 7.2 | 21.5% | 12.7% | 0.985 | 7.8 | - | - | 0.192 | 0.179 | 0.934 | 0.229 | 0.228 | 0.226 | 1.016 | 2.070 | -0.005 | NOT_TESTED | 19 | |
|
||||
| 6iu5 | open | pass | P 31 | P 31 | 0.02 | 1.000 | 2.12 | 2.25 | +5.9% | 99.2 | 4.8 | 18.2% | 11.2% | 0.993 | 8.0 | - | - | 0.212 | 0.079 | 0.932 | 0.215 | 0.221 | 0.250 | 0.862 | 7.660 | -0.018 | ACCEPTED | 18 | |
|
||||
| 6iu6 | open | pass | P 31 | P 31 | 0.33 | 0.996 | 2.35 | 2.90 | +19.0% | 97.0 | 4.2 | 11.7% | 8.2% | 0.996 | 7.1 | - | - | 0.221 | 0.171 | 0.947 | 0.235 | 0.239 | 0.211 | 1.112 | 3.540 | -0.018 | ACCEPTED | 17 | |
|
||||
| 6iu8 | open | pass | P 31 | P 31 | 0.09 | 0.998 | 2.34 | 2.70 | +13.4% | 99.7 | 10.2 | 14.2% | 7.5% | 0.997 | 8.0 | - | - | 0.270 | 0.149 | 0.911 | 0.281 | 0.280 | 0.215 | 1.310 | 1.210 | -0.028 | ACCEPTED | 15 | |
|
||||
| 6iu9 | open | pass | P 31 | P 31 | 0.20 | 1.002 | 2.76 | 3.00 | +8.0% | 99.6 | 4.8 | 13.9% | 9.7% | 0.994 | 5.5 | - | - | 0.313 | 0.107 | 0.819 | 0.323 | 0.315 | 0.265 | 1.218 | 1.470 | -0.024 | ACCEPTED | 19 | |
|
||||
| 6jgh | open | pass | P 21 21 21 | P 21 21 21 | 0.34 | 1.008 | 0.88 | 0.94 | +6.3% | 99.3 | 7.3 | 23.0% | 10.7% | 0.990 | 6.7 | - | - | 0.134 | 0.155 | 0.964 | 0.153 | 0.154 | 0.129 | 1.184 | 2.060 | -0.067 | NOT_TESTED | 44 | |
|
||||
| 6jgi | open | pass | P 21 21 21 | P 21 21 21 | 0.20 | 0.997 | 0.75 | 0.85 | +11.9% | 98.5 | 7.0 | 14.3% | 8.5% | 0.995 | 8.4 | - | - | 0.112 | 0.147 | 0.974 | 0.128 | 0.127 | 0.112 | 1.148 | 6.310 | 0.068 | NOT_TESTED | 32 | |
|
||||
| 6jgj | open | pass | P 21 21 21 | P 21 21 21 | 0.37 | 0.992 | 0.65 | 0.77 | +16.0% | 84.5 | 7.0 | 7.4% | 4.6% | 0.999 | 15.1 | - | - | 0.163 | 0.052 | 0.965 | 0.167 | 0.166 | 0.125 | 1.333 | 2.590 | 0.032 | NOT_TESTED | 51 | |
|
||||
| 6moj | open | pass | I 41 2 2 | I 41 2 2 | 0.14 | 0.997 | 2.43 | 2.43 | +0.0% | 99.7 | 26.2 | 51.5% | 8.8% | 0.998 | 8.4 | - | - | 0.249 | 0.196 | 0.916 | 0.258 | 0.262 | 0.250 | 1.028 | 1.160 | 0.026 | NOT_TESTED | 53 | |
|
||||
| 6nen | open | pass | P 3 1 2 | P 3 1 2 | 0.17 | 0.998 | 1.77 | 2.15 | +17.8% | 99.6 | 22.0 | 26.2% | 10.4% | 0.997 | 6.1 | - | - | 0.208 | 0.116 | 0.936 | 0.217 | 0.216 | 0.208 | 1.046 | 0.250 | 0.003 | NOT_TESTED | 18 | |
|
||||
| 6o2h | open | pass | P 1 | P 1 | 0.74 | 0.982 | 1.10 | 1.21 | +9.5% | 30.3 | 1.1 | 7.0% | 8.3% | 0.977 | 23.9 | - | - | 0.096 | 0.132 | 0.934 | 0.129 | 0.127 | 0.117 | 1.103 | 0.110 | -0.003 | ACCEPTED | 11 | |
|
||||
| 6oel | open | pass | F 41 3 2 | F 41 3 2 | 0.09 | 0.997 | 2.85 | 3.10 | +8.2% | 99.7 | 40.2 | 36.1% | 8.0% | 0.998 | 10.3 | - | - | 0.248 | 0.133 | 0.812 | 0.255 | 0.258 | 0.256 | 0.999 | 0.610 | -0.031 | NOT_TESTED | 29 | |
|
||||
| 6oww | open | fail | P 41 21 2 | P 1 21 1 | 0.24 | 0.997 | 2.83 | 3.84 | +26.3% | 99.7 | 41.4 | 177.6% | 13.4% | 0.995 | 12.4 | - | - | 0.355 | 0.060 | 0.866 | 0.365 | 0.358 | 0.340 | 1.074 | 2.060 | -0.043 | ACCEPTED | 49 | P 41 21 2 vs reference P 1 21 1 |
|
||||
| 6p8j | open | pass | P 1 21 1 | P 1 21 1 | 0.38 | 0.993 | 1.35 | 1.47 | +8.3% | 98.3 | 3.1 | 16.1% | 6.0% | 0.992 | 9.2 | - | - | 0.208 | 0.084 | 0.941 | 0.214 | 0.214 | 0.229 | 0.935 | 0.250 | 0.056 | NOT_TESTED | 60 | |
|
||||
| 6p8p | open | pass | P 4 | P 4 | 0.12 | 1.003 | 1.45 | 1.64 | +11.5% | 99.7 | 6.7 | 13.6% | 5.0% | 0.998 | 16.0 | - | - | 0.191 | 0.112 | 0.951 | 0.203 | 0.202 | 0.198 | 1.024 | 1.890 | -0.013 | NOT_TESTED | 21 | |
|
||||
| 6pb3 | open | pass | P 6 | P 6 | 0.11 | 1.003 | 1.84 | 2.05 | +10.1% | 93.5 | 10.3 | 6.6% | 3.0% | 1.000 | 24.8 | - | - | 0.214 | 0.102 | 0.957 | 0.227 | 0.218 | 0.252 | 0.903 | 10.510 | 0.046 | ACCEPTED | 20 | |
|
||||
| 6pxb | open | pass | P 31 1 2 | P 32 | 0.27 | 0.994 | 1.41 | 1.75 | +19.5% | 99.7 | 10.0 | 8.7% | 4.7% | 0.999 | 12.0 | - | - | 0.239 | 0.242 | 0.959 | 0.277 | 0.259 | 0.263 | 1.051 | 0.650 | -0.001 | NOT_TESTED | 17 | P 31 1 2 vs reference P 32: accepted alternative P 32 1 2 - a knife-edge this battery does not decide |
|
||||
| 6pxc | open | pass | I 2 2 2 | I 2 2 2 | 0.24 | 0.995 | 1.43 | 1.60 | +10.9% | 96.8 | 5.7 | 7.7% | 5.3% | 0.998 | 10.5 | - | - | 0.209 | 0.166 | 0.960 | 0.215 | 0.217 | 0.210 | 1.024 | 0.660 | 0.028 | NOT_TESTED | 13 | |
|
||||
| 6qaj | open | pass | C 2 2 21 | C 2 2 21 | 0.47 | 0.991 | 2.78 | 2.90 | +4.2% | 99.7 | 9.2 | 24.5% | 4.8% | 0.999 | 12.9 | - | - | 0.320 | 0.192 | 0.861 | 0.331 | 0.328 | 0.291 | 1.139 | 4.320 | -0.064 | NOT_TESTED | 24 | |
|
||||
| 6r72 | open | pass | P 1 21 1 | P 1 21 1 | 1.47 | 0.978 | 4.39 | 3.95 | -11.1% | 99.7 | 7.1 | 16.5% | 3.6% | 1.000 | 16.6 | - | - | 0.363 | 0.044 | 0.588 | 0.369 | 0.365 | 0.321 | 1.149 | 0.140 | -0.231 | NOT_TESTED | 36 | |
|
||||
| 6rlr | open | pass | P 1 | P 1 | 0.08 | 0.999 | 1.94 | 2.00 | +3.0% | 97.7 | 3.5 | 12.1% | 4.0% | 0.998 | 16.3 | - | - | 0.249 | 0.077 | 0.896 | 0.255 | 0.254 | 0.279 | 0.911 | 0.690 | -0.034 | NOT_TESTED | 18 | |
|
||||
| 6rym | open | pass | P 41 | P 43 | 0.06 | 0.998 | 1.45 | 1.46 | +0.5% | 79.7 | 3.9 | 4.2% | 4.1% | 0.998 | 22.8 | - | - | 0.170 | 0.246 | 0.940 | 0.190 | 0.183 | 0.184 | 1.033 | 14.380 | -0.009 | ACCEPTED | 14 | P 41 vs reference P 43 (hand only (needs anomalous)); labelled P 43 from the model |
|
||||
| 6s1u | open | pass | P 1 21 1 | P 1 21 1 | 0.13 | 1.002 | 1.76 | 1.90 | +7.4% | 95.3 | 3.8 | 22.2% | 5.7% | 0.991 | 13.4 | - | - | 0.201 | 0.107 | 0.950 | 0.199 | 0.210 | 0.235 | 0.847 | 0.590 | -0.005 | NOT_TESTED | 16 | |
|
||||
| 6toc | open | pass | P 42 2 2 | P 42 | 0.34 | 0.990 | 1.65 | 1.85 | +11.2% | 99.7 | 24.3 | 9.8% | 2.3% | 1.000 | 25.1 | - | - | 0.277 | 0.169 | 0.973 | 0.272 | 0.283 | 0.265 | 1.028 | 0.540 | 0.136 | ACCEPTED | 9 | P 42 2 2 vs reference P 42: accepted alternative P 42 2 2 - a knife-edge this battery does not decide |
|
||||
| 6ttn | open | pass | P 21 21 21 | P 21 21 21 | 0.13 | 1.000 | 1.05 | 1.12 | +6.2% | 96.4 | 11.3 | 10.4% | 4.6% | 0.999 | 14.5 | - | - | 0.134 | 0.089 | 0.975 | 0.143 | 0.140 | 0.146 | 0.982 | 8.310 | 0.092 | NOT_TESTED | 41 | |
|
||||
| 6u7g | open | pass | P 1 21 1 | P 1 21 1 | 0.09 | 1.002 | 1.89 | 2.35 | +19.7% | 79.3 | 3.3 | 7.7% | 4.1% | 0.998 | 13.5 | - | - | 0.197 | 0.102 | 0.920 | 0.200 | 0.203 | 0.218 | 0.916 | 1.590 | -0.102 | NOT_TESTED | 20 | |
|
||||
| 6ukf | open | pass | P 1 21 1 | P 1 21 1 | 0.07 | 1.000 | 0.95 | 1.00 | +5.3% | 90.3 | 7.1 | 9.8% | 5.8% | 0.998 | 9.9 | - | - | 0.164 | 0.016 | 0.959 | 0.159 | 0.165 | 0.166 | 0.958 | 2.390 | 0.036 | NOT_TESTED | 36 | |
|
||||
| 6v2r | open | pass | P 41 21 2 | P 41 21 2 | 0.03 | 1.000 | 1.38 | 1.60 | +13.6% | 92.5 | 11.3 | 5.2% | 2.9% | 1.000 | 24.6 | - | - | 0.205 | 0.221 | 0.945 | 0.209 | 0.230 | 0.235 | 0.889 | 12.720 | 0.009 | NOT_TESTED | 11 | |
|
||||
| 6vww | open | pass | P 63 | P 63 | 0.20 | 1.005 | 1.99 | 2.20 | +9.7% | 99.7 | 5.6 | 16.4% | 8.9% | 0.993 | 8.0 | - | - | 0.240 | 0.118 | 0.925 | 0.243 | 0.249 | 0.178 | 1.370 | 0.670 | 0.004 | NOT_TESTED | 19 | |
|
||||
| 6w4h | open | pass | P 31 2 1 | P 31 2 1 | 0.02 | 1.000 | 1.62 | 1.80 | +10.2% | 97.5 | 6.9 | 7.6% | 3.9% | 0.999 | 18.5 | - | - | 0.163 | 0.168 | 0.967 | 0.169 | 0.176 | 0.163 | 1.041 | 4.710 | -0.012 | ACCEPTED | 22 | |
|
||||
| 6w75 | open | pass | P 31 2 1 | P 32 2 1 | 0.02 | 1.000 | 1.69 | 1.95 | +13.6% | 99.7 | 10.5 | 11.9% | 4.7% | 0.999 | 15.9 | - | - | 0.175 | 0.169 | 0.957 | 0.187 | 0.187 | 0.174 | 1.073 | 3.650 | -0.017 | ACCEPTED | 33 | P 31 2 1 vs reference P 32 2 1 (hand only (needs anomalous)); labelled P 32 2 1 from the model |
|
||||
| 6wzo | open | pass | P 1 | P 1 | 0.05 | 0.999 | 1.04 | 1.42 | +26.4% | 68.3 | 3.8 | 6.1% | 3.6% | 0.999 | 16.9 | - | - | 0.174 | 0.123 | 0.958 | 0.175 | 0.176 | 0.173 | 1.011 | 2.780 | -0.007 | NOT_TESTED | 34 | |
|
||||
| 6yqf | open | pass | P 21 21 2 | P 21 21 2 | 0.67 | 1.018 | 3.32 | 3.33 | +0.1% | 99.1 | 4.8 | 42.1% | 12.0% | 0.990 | 6.5 | - | - | 0.448 | 0.145 | 0.887 | 0.483 | 0.460 | 0.367 | 1.316 | 0.220 | -0.235 | NOT_TESTED | 53 | |
|
||||
| 6z8o | open | pass | P 1 21 1 | P 1 21 1 | 0.61 | 1.016 | 2.16 | 2.20 | +1.7% | 88.1 | 3.6 | 19.0% | 5.4% | 0.995 | 14.5 | - | - | 0.284 | 0.063 | 0.899 | 0.289 | 0.287 | 0.275 | 1.054 | 1.190 | -0.055 | NOT_TESTED | 13 | |
|
||||
| 6z9g | open | pass | P 1 21 1 | P 1 21 1 | 0.25 | 1.002 | 1.62 | 1.76 | +8.1% | 83.7 | 4.3 | 15.9% | 5.9% | 0.995 | 10.7 | - | - | 0.217 | 0.093 | 0.961 | 0.218 | 0.220 | 0.240 | 0.912 | 2.390 | -0.077 | NOT_TESTED | 53 | |
|
||||
| 6ze4 | open | pass | P 21 21 21 | P 21 21 21 | 0.48 | 0.990 | 1.29 | 1.60 | +19.1% | 96.1 | 8.0 | 20.5% | 5.8% | 0.988 | 10.5 | - | - | 0.222 | 0.064 | 0.956 | 0.226 | 0.224 | 0.202 | 1.116 | 1.730 | -0.107 | NOT_TESTED | 51 | |
|
||||
| 6zqr | open | pass | P 4 | P 4 | 0.33 | 1.008 | 1.77 | 1.93 | +8.4% | 99.7 | 8.2 | 20.0% | 8.3% | 0.995 | 8.9 | - | - | 0.197 | 0.155 | 0.950 | 0.202 | 0.210 | 0.191 | 1.055 | 1.420 | -0.099 | ACCEPTED | 21 | |
|
||||
| 6zqy | open | pass | P 4 | P 4 | 0.12 | 0.997 | 1.69 | 1.85 | +8.9% | 98.5 | 7.8 | 22.0% | 5.5% | 0.994 | 13.0 | - | - | 0.209 | 0.146 | 0.950 | 0.217 | 0.222 | 0.196 | 1.105 | 1.440 | -0.087 | NOT_TESTED | 36 | |
|
||||
| 6zr0 | open | pass | P 4 | P 4 | 0.07 | 1.001 | 1.64 | 1.94 | +15.3% | 97.6 | 3.7 | 12.9% | 4.0% | 0.993 | 25.2 | - | - | 0.215 | 0.073 | 0.961 | 0.218 | 0.218 | 0.210 | 1.037 | 1.820 | 0.011 | ACCEPTED | 28 | |
|
||||
| 7arr | open | pass | P 1 | P 1 | 0.14 | 1.003 | 0.92 | 1.10 | +16.6% | 69.9 | 3.5 | 3.8% | 3.0% | 0.999 | 18.7 | - | - | 0.155 | 0.167 | 0.965 | 0.162 | 0.160 | 0.161 | 1.007 | -0.410 | -0.074 | ACCEPTED | 22 | |
|
||||
| 7atg | open | pass | P 21 21 21 | P 21 21 21 | 0.02 | 1.000 | 0.60 | 0.60 | +0.3% | 86.7 | 3.8 | 5.1% | 7.2% | 0.994 | 23.1 | - | - | 0.125 | 0.134 | 0.437 | 0.160 | 0.159 | 0.095 | 1.687 | 6.770 | -0.005 | NOT_TESTED | 36 | |
|
||||
| 7bgt | open | pass | P 1 | P 1 | 0.36 | 0.990 | 1.79 | 1.93 | +7.0% | 98.0 | 2.2 | 13.6% | 5.7% | 0.993 | 16.9 | - | - | 0.195 | 0.121 | 0.955 | 0.207 | 0.206 | 0.212 | 0.979 | 0.220 | -0.007 | NOT_TESTED | 10 | |
|
||||
| 7bgu | open | pass | P 1 | P 1 | 0.12 | 0.997 | 2.32 | 2.43 | +4.7% | 95.5 | 2.9 | 10.8% | 4.0% | 0.942 | 16.2 | - | - | 0.254 | 0.087 | 0.864 | 0.266 | 0.270 | 0.236 | 1.127 | -0.360 | -0.172 | NOT_TESTED | 9 | |
|
||||
| 7brr | open | pass | P 1 21 1 | P 1 21 1 | 0.13 | 0.998 | 1.24 | 1.35 | +7.9% | 96.7 | 6.3 | 6.7% | 3.8% | 0.999 | 16.4 | - | - | 0.192 | 0.088 | 0.962 | 0.190 | 0.195 | 0.197 | 0.965 | 3.080 | -0.044 | NOT_TESTED | 23 | |
|
||||
| 7d98 | open | pass | P 61 2 2 | P 61 2 2 | 0.16 | 1.002 | 3.31 | 3.60 | +8.2% | 97.5 | 13.8 | 30.9% | 5.2% | 0.997 | 15.5 | - | - | 0.284 | 0.057 | 0.784 | 0.311 | 0.287 | 0.286 | 1.086 | 0.690 | 0.006 | NOT_TESTED | 14 | |
|
||||
| 7dkp | open | pass | P 1 21 1 | P 1 21 1 | 0.14 | 1.004 | 1.20 | 1.45 | +17.0% | 69.6 | 7.4 | 12.2% | 4.6% | 0.998 | 26.5 | - | - | 0.159 | 0.119 | 0.969 | 0.163 | 0.165 | 0.160 | 1.014 | 2.710 | 0.016 | ACCEPTED | 35 | |
|
||||
| 7k1l | open | unscored | P 6 | P 63 | 0.28 | 0.995 | 1.91 | 2.25 | +15.2% | 98.9 | 6.5 | 16.2% | 8.3% | 0.994 | 9.9 | - | - | 0.260 | 0.100 | 0.909 | 0.268 | 0.268 | 0.192 | 1.401 | 0.800 | 0.094 | NOT_TESTED | 20 | P 6 vs reference P 63: the screw along c is undeterminable from these data (offered P 61 / P 65 / P 62 / P 64 / P 63) |
|
||||
| 7kcn | open | pass | P 41 2 2 | P 41 2 2 | 0.04 | 1.001 | 1.39 | 1.46 | +4.7% | 92.8 | 20.7 | 7.9% | 7.6% | 0.999 | 11.8 | - | - | 0.172 | 0.159 | 0.961 | 0.190 | 0.190 | 0.182 | 1.044 | 8.350 | -0.012 | NOT_TESTED | 24 | |
|
||||
| 7l6j | open | pass | I 41 3 2 | I 41 3 2 | 0.00 | 1.000 | 1.50 | 1.78 | +15.5% | 99.7 | 29.0 | 21.0% | 7.5% | 0.999 | 10.5 | - | - | 0.172 | 0.184 | 0.963 | 0.188 | 0.189 | 0.154 | 1.215 | 29.150 | -0.001 | NOT_TESTED | 34 | |
|
||||
| 7l84 | open | pass | P 41 21 2 | P 43 21 2 | 0.04 | 1.000 | 1.70 | 1.70 | +0.0% | 91.6 | 33.5 | 9.1% | 13.0% | 0.999 | 11.3 | - | - | 0.150 | 0.091 | 0.911 | 0.169 | 0.164 | 0.162 | 1.043 | 17.540 | -0.007 | ACCEPTED | 16 | P 41 21 2 vs reference P 43 21 2 (hand only (needs anomalous)); labelled P 43 21 2 from the model |
|
||||
| 7mzt | open | unscored | P 21 21 21 | P 21 21 2 | 0.63 | 0.997 | 3.18 | 4.07 | +22.0% | 99.6 | 9.9 | 406.2% | 35.9% | 0.977 | 3.9 | - | - | 0.413 | 0.108 | 0.523 | 0.417 | 0.418 | 0.372 | 1.121 | -0.140 | -0.018 | ACCEPTED | 37 | P 21 21 21 vs reference P 21 21 2: the screw along c is undeterminable from these data (offered P 21 21 2) |
|
||||
| 7n0i | open | pass | P 21 21 21 | P 21 21 21 | 0.28 | 0.993 | 1.64 | 2.20 | +25.6% | 99.7 | 6.6 | 14.0% | 5.6% | 0.998 | 10.5 | - | - | 0.267 | 0.270 | 0.920 | 0.292 | 0.293 | 0.271 | 1.077 | 0.610 | 0.057 | NOT_TESTED | 25 | |
|
||||
| 7n2s | open | pass | P 1 21 1 | P 1 21 1 | 0.04 | 0.999 | 2.56 | 2.37 | -8.1% | 97.6 | 3.4 | 58.6% | 7.1% | 0.927 | 14.5 | - | - | 0.301 | 0.122 | 0.820 | 0.316 | 0.312 | 0.311 | 1.015 | 0.110 | -0.024 | NOT_TESTED | 11 | |
|
||||
| 7orr | open | pass | I 2 3 | I 21 3 | 0.06 | 0.998 | 1.64 | 1.79 | +8.7% | 99.7 | 15.9 | 7.1% | 4.1% | 1.000 | 25.4 | - | - | 0.183 | 0.153 | 0.965 | 0.198 | 0.195 | 0.184 | 1.073 | 5.080 | 0.054 | ACCEPTED | 25 | I 2 3 vs reference I 21 3 (UNDECIDABLE from intensities) |
|
||||
| 7os3 | open | pass | P 21 21 21 | P 21 21 21 | 0.17 | 1.004 | 1.96 | 2.18 | +10.2% | 83.6 | 11.4 | 8.9% | 3.8% | 0.999 | 23.8 | - | - | 0.183 | 0.134 | 0.954 | 0.192 | 0.193 | 0.224 | 0.860 | 5.740 | -0.006 | NOT_TESTED | 24 | |
|
||||
| 7ou1 | open | pass | P 1 21 1 | P 1 21 1 | 0.05 | 1.000 | 1.39 | 1.65 | +15.6% | 86.7 | 3.3 | 15.7% | 7.7% | 0.991 | 9.0 | - | - | 0.202 | 0.105 | 0.956 | 0.209 | 0.210 | 0.222 | 0.945 | 1.480 | 0.085 | NOT_TESTED | 22 | |
|
||||
| 7ph1 | open | pass | I 2 2 2 | I 2 2 2 | 0.12 | 0.998 | 1.09 | 1.18 | +7.6% | 99.7 | 7.1 | 11.2% | 5.4% | 0.998 | 16.1 | - | - | 0.155 | 0.163 | 0.968 | 0.175 | 0.173 | 0.166 | 1.056 | 3.230 | 0.042 | NOT_TESTED | 65 | |
|
||||
| 7pq7 | open | pass | C 1 2 1 | C 1 2 1 | 0.30 | 0.992 | 1.39 | 1.55 | +10.6% | 98.6 | 3.7 | 6.6% | 4.4% | 0.998 | 13.6 | - | - | 0.188 | 0.194 | 0.946 | 0.215 | 0.210 | 0.200 | 1.072 | 2.280 | 0.009 | NOT_TESTED | 11 | |
|
||||
| 7q6j | open | pass | P 21 21 21 | P 21 21 21 | 0.40 | 0.995 | 2.00 | 2.20 | +8.9% | 99.7 | 7.3 | 14.5% | 5.4% | 0.998 | 10.0 | - | - | 0.224 | 0.123 | 0.946 | 0.234 | 0.238 | 0.236 | 0.991 | 1.410 | -0.010 | NOT_TESTED | 29 | |
|
||||
| 7qij | open | pass | P 21 21 21 | P 21 21 21 | 0.42 | 0.991 | 3.62 | 4.10 | +11.8% | 99.7 | 6.8 | 24.5% | 5.8% | 0.996 | 9.2 | - | - | 0.349 | 0.116 | 0.865 | 0.360 | 0.358 | 0.325 | 1.110 | 0.170 | 0.066 | NOT_TESTED | 84 | |
|
||||
| 7qis | open | pass | P 61 | P 61 | 0.06 | 0.999 | 1.76 | 1.83 | +4.0% | 99.6 | 9.2 | 21.2% | 6.3% | 0.997 | 17.2 | - | - | 0.166 | 0.199 | 0.964 | 0.193 | 0.192 | 0.189 | 1.024 | 1.410 | 0.057 | NOT_TESTED | 33 | |
|
||||
| 7raa | open | pass | P 41 21 2 | P 43 21 2 | 0.10 | 0.997 | 2.64 | 2.69 | +1.9% | 99.2 | 35.8 | 17.8% | 5.8% | 1.000 | 10.4 | - | - | 0.297 | 0.186 | 0.900 | 0.335 | 0.304 | 0.294 | 1.139 | 0.490 | -0.038 | ACCEPTED | 24 | P 41 21 2 vs reference P 43 21 2 (hand only (needs anomalous)); labelled P 43 21 2 from the model |
|
||||
| 7ris | open | pass | P 31 2 1 | P 32 2 1 | 0.07 | 1.000 | 1.51 | 1.72 | +12.2% | 96.1 | 17.9 | 10.1% | 3.3% | 1.000 | 30.9 | - | - | 0.189 | 0.039 | 0.961 | 0.189 | 0.190 | 0.201 | 0.940 | 2.200 | 0.006 | ACCEPTED | 22 | P 31 2 1 vs reference P 32 2 1 (hand only (needs anomalous)); labelled P 32 2 1 from the model |
|
||||
| 7rji | open | pass | R 3 2:H | H 3 2 | 0.12 | 1.003 | 1.47 | 1.71 | +14.2% | 99.3 | 28.3 | 15.6% | 8.9% | 0.999 | 7.8 | - | - | 0.208 | 0.083 | 0.945 | 0.197 | 0.211 | 0.224 | 0.877 | 6.800 | 0.084 | NOT_TESTED | 22 | |
|
||||
| 7t5t | open | pass | P 42 21 2 | P 42 21 2 | 0.06 | 0.999 | 1.24 | 1.35 | +8.1% | 98.5 | 12.6 | 6.5% | 4.4% | 0.999 | 16.5 | - | - | 0.163 | 0.249 | 0.960 | 0.193 | 0.189 | 0.168 | 1.147 | 11.250 | 0.024 | NOT_TESTED | 24 | |
|
||||
| 7tcd | open | pass | C 1 2 1 | C 1 2 1 | 0.26 | 1.004 | 1.67 | 1.70 | +1.9% | 70.7 | 7.2 | 8.8% | 4.3% | 0.999 | 18.0 | - | - | 0.191 | 0.213 | 0.957 | 0.212 | 0.208 | 0.252 | 0.840 | 1.120 | -0.057 | NOT_TESTED | 29 | |
|
||||
| 7yzx | open | pass | P 63 2 2 | P 63 2 2 | 0.24 | 0.994 | 1.87 | 1.90 | +1.6% | 99.7 | 14.2 | 20.4% | 6.1% | 0.998 | 10.5 | - | - | 0.211 | 0.109 | 0.952 | 0.214 | 0.215 | 0.229 | 0.935 | 1.410 | 0.021 | NOT_TESTED | 41 | |
|
||||
| 8a1a | open | pass | P 61 | P 65 | 0.26 | 0.992 | 1.91 | 2.05 | +7.0% | 99.7 | 42.5 | 52.5% | 8.2% | 0.998 | 19.2 | - | - | 0.177 | 0.030 | 0.962 | 0.179 | 0.178 | 0.185 | 0.967 | 1.790 | -0.005 | ACCEPTED | 97 | P 61 vs reference P 65 (hand only (needs anomalous)); labelled P 65 from the model |
|
||||
| 8agq | open | pass | C 1 2 1 | C 1 2 1 | 0.34 | 0.991 | 0.97 | 1.09 | +11.3% | 95.5 | 6.0 | 9.2% | 4.3% | 0.999 | 14.1 | - | - | 0.182 | 0.220 | 0.944 | 0.207 | 0.205 | 0.149 | 1.391 | 6.500 | -0.005 | NOT_TESTED | 22 | |
|
||||
| 8c3e | open | fail | P 6 2 2 | P 31 2 1 | 0.24 | 0.994 | 1.79 | 2.10 | +14.7% | 97.9 | 7.0 | 29.4% | 11.9% | 0.980 | 5.9 | - | - | 0.359 | 0.282 | 0.759 | 0.399 | 0.387 | 0.249 | 1.602 | 0.920 | -0.076 | ACCEPTED | 5 | P 6 2 2 vs reference P 31 2 1 |
|
||||
| 8dqb | open | pass | I 2 3 | I 2 3 | 0.08 | 0.998 | 2.04 | 2.50 | +18.3% | 97.3 | 10.2 | 14.3% | 4.4% | 0.996 | 22.1 | - | - | 0.230 | 0.113 | 0.939 | 0.237 | 0.243 | 0.239 | 0.991 | 3.070 | 0.006 | NOT_TESTED | 16 | |
|
||||
| 8dyz | open | pass | P 41 21 2 | P 43 21 2 | 0.08 | 0.999 | 1.14 | 1.27 | +10.4% | 64.2 | 3.8 | 3.1% | 2.4% | 0.999 | 37.8 | - | - | 0.120 | 0.046 | 0.973 | 0.121 | 0.122 | 0.133 | 0.907 | 4.220 | -0.050 | ACCEPTED | 12 | P 41 21 2 vs reference P 43 21 2 (hand only (needs anomalous)); labelled P 43 21 2 from the model |
|
||||
| 8dz7 | open | pass | P 21 21 21 | P 21 21 21 | 0.08 | 0.998 | 1.19 | 1.34 | +11.2% | 37.2 | 3.2 | 3.0% | 2.7% | 0.999 | 35.1 | - | - | 0.118 | 0.068 | 0.968 | 0.128 | 0.122 | 0.136 | 0.942 | 5.140 | -0.008 | NOT_TESTED | 13 | |
|
||||
| 8egn | open | pass | P 21 21 21 | P 21 21 21 | 0.12 | 1.002 | 1.63 | 1.95 | +16.6% | 91.3 | 5.4 | 6.5% | 3.8% | 0.999 | 21.7 | - | - | 0.198 | 0.141 | 0.950 | 0.211 | 0.204 | 0.219 | 0.961 | 2.510 | 0.013 | NOT_TESTED | 14 | |
|
||||
| 8iya | open | pass | C 1 2 1 | C 1 2 1 | 0.33 | 0.995 | 1.90 | 2.43 | +21.9% | 97.5 | 5.6 | 22.4% | 11.6% | 0.988 | 5.8 | - | - | 0.248 | 0.049 | 0.945 | 0.235 | 0.249 | 0.247 | 0.951 | 0.230 | 0.004 | NOT_TESTED | 13 | |
|
||||
| 8k1g | open | pass | I 4 2 2 | I 4 2 2 | 0.76 | 1.018 | 1.62 | 2.09 | +22.3% | 99.7 | 19.2 | 25.6% | 6.9% | 0.998 | 11.6 | - | - | 0.206 | 0.188 | 0.957 | 0.225 | 0.225 | 0.207 | 1.085 | 2.240 | -0.109 | NOT_TESTED | 37 | |
|
||||
| 8oic | open | pass | P 1 | P 1 | 0.03 | 1.000 | 2.34 | 2.80 | +16.4% | 98.2 | 3.6 | 24.7% | 4.7% | 0.988 | 19.3 | - | - | 0.238 | 0.113 | 0.933 | 0.248 | 0.246 | 0.251 | 0.988 | 0.410 | 0.054 | NOT_TESTED | 42 | |
|
||||
| 8owm | open | pass | P 1 | P 1 | 0.06 | 0.999 | 1.50 | 1.70 | +12.0% | 96.4 | 3.6 | 10.8% | 3.5% | 0.998 | 21.1 | - | - | 0.164 | 0.104 | 0.971 | 0.174 | 0.172 | 0.172 | 1.011 | 1.320 | 0.046 | NOT_TESTED | 53 | |
|
||||
| 8pqd | open | pass | P 21 21 21 | P 21 21 21 | 0.06 | 1.000 | 1.31 | 1.50 | +12.5% | 95.1 | 13.5 | 8.9% | 5.5% | 0.999 | 14.6 | - | - | 0.184 | 0.197 | 0.961 | 0.204 | 0.199 | 0.194 | 1.048 | 3.530 | 0.038 | NOT_TESTED | 76 | |
|
||||
| 8qaw | open | pass | R 3:H | H 3 | 0.06 | 0.998 | 1.30 | 1.55 | +15.9% | 99.4 | 10.0 | 12.3% | 7.7% | 0.998 | 10.8 | - | - | 0.142 | 0.176 | 0.958 | 0.155 | 0.159 | 0.161 | 0.963 | 11.320 | 0.018 | ACCEPTED | 145 | |
|
||||
| 8qj5 | open | pass | P 1 21 1 | P 1 21 1 | 0.51 | 0.986 | 1.43 | 1.63 | +12.5% | 99.5 | 6.5 | 16.5% | 7.6% | 0.996 | 8.3 | - | - | 0.181 | 0.126 | 0.953 | 0.197 | 0.195 | 0.190 | 1.036 | 1.410 | 0.021 | NOT_TESTED | 19 | |
|
||||
| 8qq7 | open | pass | P 62 2 2 | P 64 2 2 | 0.61 | 1.018 | 3.15 | 3.62 | +12.9% | 99.5 | 24.9 | 20.0% | 11.6% | 0.998 | 6.0 | - | - | 0.399 | 0.379 | 0.357 | 0.402 | 0.405 | 0.320 | 1.256 | 0.660 | -0.110 | ACCEPTED | 13 | P 62 2 2 vs reference P 64 2 2 (hand only (needs anomalous)); labelled P 64 2 2 from the model |
|
||||
| 8r5r | open | pass | P 21 21 21 | P 21 21 21 | 0.16 | 1.002 | 2.79 | 3.08 | +9.4% | 99.7 | 10.1 | 27.4% | 4.7% | 0.997 | 18.9 | - | - | 0.264 | 0.156 | 0.880 | 0.287 | 0.277 | 0.252 | 1.141 | 0.310 | -0.023 | NOT_TESTED | 28 | |
|
||||
| 8rud | open | pass | P 1 21 1 | P 1 21 1 | 0.42 | 0.988 | 1.65 | 2.10 | +21.4% | 99.7 | 6.6 | 32.2% | 6.3% | 0.992 | 12.4 | - | - | 0.247 | 0.091 | 0.903 | 0.256 | 0.253 | 0.262 | 0.977 | 0.770 | 0.048 | NOT_TESTED | 51 | |
|
||||
| 8s38 | open | pass | I 2 2 2 | I 21 21 21 | 0.17 | 0.995 | 1.64 | 1.89 | +13.3% | 99.6 | 6.7 | 8.7% | 3.4% | 0.999 | 22.5 | - | - | 0.179 | 0.143 | 0.962 | 0.185 | 0.187 | 0.187 | 0.988 | 2.300 | 0.026 | NOT_TESTED | 46 | I 2 2 2 vs reference I 21 21 21 (UNDECIDABLE from intensities) |
|
||||
| 8sa8 | open | pass | I 1 2 1 | I 1 2 1 | 0.01 | 1.000 | 1.11 | 1.30 | +14.5% | 86.5 | 7.2 | 11.8% | 3.7% | 0.999 | 21.7 | - | - | 0.155 | 0.148 | 0.971 | 0.170 | 0.171 | 0.152 | 1.116 | 3.790 | 0.045 | ACCEPTED | 74 | |
|
||||
| 8sqo | open | pass | P 4 3 2 | P 4 3 2 | 0.15 | 0.995 | 1.31 | 1.55 | +15.2% | 99.7 | 69.7 | 25.2% | 6.1% | 1.000 | 13.9 | - | - | 0.185 | 0.113 | 0.958 | 0.200 | 0.193 | 0.177 | 1.129 | 6.550 | 0.031 | NOT_TESTED | 32 | |
|
||||
| 8sqq | open | pass | F 4 3 2 | F 4 3 2 | 0.18 | 0.995 | 1.90 | 2.25 | +15.6% | 99.6 | 39.2 | 25.2% | 5.3% | 0.999 | 17.8 | - | - | 0.211 | 0.109 | 0.963 | 0.206 | 0.218 | 0.245 | 0.840 | 3.170 | 0.016 | NOT_TESTED | 80 | |
|
||||
| 8sqt | open | pass | F 4 3 2 | F 4 3 2 | 0.10 | 0.997 | 1.83 | 2.20 | +16.8% | 99.7 | 38.9 | 21.0% | 4.3% | 1.000 | 24.1 | - | - | 0.222 | 0.147 | 0.968 | 0.225 | 0.233 | 0.262 | 0.858 | 2.880 | 0.025 | NOT_TESTED | 42 | |
|
||||
| 8t7r | open | pass | C 1 2 1 | C 1 2 1 | 0.39 | 0.989 | 3.30 | 3.84 | +14.0% | 99.1 | 4.0 | 32.7% | 7.0% | 0.985 | 10.2 | - | - | 0.281 | 0.098 | 0.819 | 0.285 | 0.291 | 0.263 | 1.088 | 0.370 | 0.032 | NOT_TESTED | 52 | |
|
||||
| 8tha | open | pass | P 62 | P 64 | 0.20 | 0.994 | 1.34 | 1.68 | +20.2% | 99.3 | 19.3 | 15.8% | 3.3% | 0.999 | 26.4 | - | - | 0.209 | 0.094 | 0.961 | 0.218 | 0.215 | 0.215 | 1.016 | 4.300 | 0.042 | ACCEPTED | 15 | P 62 vs reference P 64 (hand only (needs anomalous)); labelled P 64 from the model |
|
||||
| 8tyy | open | pass | F 4 3 2 | F 4 3 2 | 0.02 | 1.001 | 1.27 | 1.68 | +24.3% | 97.4 | 38.1 | 17.1% | 5.2% | 0.999 | 16.1 | - | - | 0.161 | 0.150 | 0.971 | 0.177 | 0.173 | 0.163 | 1.089 | 13.310 | 0.004 | NOT_TESTED | 115 | |
|
||||
| 8u0i | open | pass | P 41 21 2 | P 43 21 2 | 0.08 | 1.000 | 1.38 | 1.54 | +10.3% | 98.3 | 11.0 | 8.3% | 3.5% | 0.999 | 16.4 | - | - | 0.179 | 0.055 | 0.963 | 0.182 | 0.182 | 0.210 | 0.868 | 3.400 | 0.023 | ACCEPTED | 16 | P 41 21 2 vs reference P 43 21 2 (hand only (needs anomalous)); labelled P 43 21 2 from the model |
|
||||
| 8v2t | open | pass | P 42 21 2 | P 42 21 2 | 0.20 | 1.006 | 1.15 | 1.40 | +17.8% | 87.7 | 9.8 | 8.0% | 4.9% | 0.999 | 12.3 | - | - | 0.167 | 0.210 | 0.969 | 0.180 | 0.179 | 0.163 | 1.105 | 10.970 | 0.025 | NOT_TESTED | 24 | |
|
||||
| 8v4j | open | pass | P 42 21 2 | P 42 21 2 | 0.09 | 0.998 | 1.10 | 1.31 | +16.0% | 89.8 | 11.4 | 5.5% | 3.1% | 1.000 | 21.8 | - | - | 0.170 | 0.109 | 0.965 | 0.176 | 0.175 | 0.172 | 1.023 | 12.360 | 0.009 | NOT_TESTED | 23 | |
|
||||
| 8v4o | open | pass | P 61 2 2 | P 61 2 2 | 0.06 | 0.999 | 2.12 | 2.70 | +21.7% | 99.7 | 20.4 | 30.8% | 5.9% | 0.998 | 15.4 | - | - | 0.235 | 0.151 | 0.929 | 0.251 | 0.252 | 0.240 | 1.046 | 0.970 | 0.053 | NOT_TESTED | 51 | |
|
||||
| 8xbp | open | pass | C 1 2 1 | C 1 2 1 | 0.19 | 0.999 | 1.68 | 1.99 | +15.4% | 83.5 | 6.7 | 11.0% | 4.0% | 0.999 | 18.8 | - | - | 0.312 | 0.194 | 0.891 | 0.331 | 0.322 | 0.288 | 1.147 | 1.160 | 0.235 | NOT_TESTED | 51 | |
|
||||
| 8xte | open | pass | P 31 2 1 | P 32 | 0.07 | 1.002 | 1.64 | 1.99 | +17.6% | 99.5 | 9.4 | 25.1% | 7.8% | 0.996 | 12.4 | - | - | 0.275 | 0.128 | 0.913 | 0.287 | 0.284 | 0.219 | 1.309 | 0.950 | 0.039 | NOT_TESTED | 45 | P 31 2 1 vs reference P 32: accepted alternative P 31 2 1 - a knife-edge this battery does not decide |
|
||||
| 8xtf | open | pass | R 3 2:H | H 3 2 | 0.23 | 1.006 | 1.84 | 2.13 | +13.5% | 99.6 | 19.0 | 75.1% | 16.8% | 0.989 | 7.8 | - | - | 0.192 | 0.039 | 0.964 | 0.186 | 0.194 | 0.210 | 0.884 | 1.380 | -0.016 | NOT_TESTED | 91 | |
|
||||
| 8xtg | open | pass | P 31 2 1 | P 32 | 0.05 | 1.001 | 1.55 | 2.00 | +22.5% | 99.7 | 10.0 | 26.7% | 10.1% | 0.994 | 7.6 | - | - | 0.273 | 0.152 | 0.901 | 0.287 | 0.286 | 0.211 | 1.357 | 0.880 | 0.037 | ACCEPTED | 45 | P 31 2 1 vs reference P 32: accepted alternative P 31 2 1 - a knife-edge this battery does not decide |
|
||||
| 8y74 | open | pass | C 1 2 1 | C 1 2 1 | 0.36 | 0.992 | 1.69 | 1.90 | +11.2% | 97.7 | 6.2 | 13.0% | 7.7% | 0.997 | 8.8 | - | - | 0.214 | 0.099 | 0.938 | 0.224 | 0.220 | 0.240 | 0.933 | 1.210 | -0.028 | NOT_TESTED | 13 | |
|
||||
| 8ys9 | open | pass | P 21 21 21 | P 21 21 21 | 0.20 | 0.998 | 1.31 | 1.46 | +10.2% | 99.7 | 13.4 | 13.2% | 4.6% | 0.999 | 15.3 | - | - | 0.176 | 0.107 | 0.961 | 0.189 | 0.183 | 0.197 | 0.958 | 3.110 | 0.096 | NOT_TESTED | 24 | |
|
||||
| 9b22 | open | pass | P 1 21 1 | P 1 21 1 | 0.07 | 1.002 | 1.14 | 1.30 | +12.1% | 77.1 | 6.1 | 6.2% | 3.5% | 0.999 | 16.4 | - | - | 0.159 | 0.103 | 0.968 | 0.165 | 0.163 | 0.164 | 1.008 | 0.060 | -0.040 | ACCEPTED | 22 | |
|
||||
| 9bn8 | open | pass | P 41 | P 41 | 0.10 | 0.997 | 1.19 | 1.35 | +11.7% | 93.8 | 11.5 | 8.0% | 3.9% | 1.000 | 19.8 | - | - | 0.151 | 0.126 | 0.967 | 0.162 | 0.159 | 0.158 | 1.025 | 3.800 | 0.019 | ACCEPTED | 28 | |
|
||||
| 9c18 | open | pass | P 1 | P 1 | 0.74 | 0.984 | 1.74 | 1.90 | +8.6% | 97.5 | 3.6 | 26.1% | 8.6% | 0.988 | 10.5 | - | - | 0.219 | 0.071 | 0.945 | 0.219 | 0.224 | 0.229 | 0.957 | 0.740 | -0.019 | ACCEPTED | 12 | |
|
||||
| 9chw | open | pass | P 61 | P 61 | 0.04 | 1.001 | 1.60 | 2.16 | +25.9% | 72.5 | 3.1 | 5.7% | 3.3% | 0.998 | 21.2 | - | - | 0.180 | 0.139 | 0.962 | 0.184 | 0.186 | 0.210 | 0.878 | 1.750 | -0.008 | NOT_TESTED | 19 | |
|
||||
| 9crw | open | pass | P 1 21 1 | P 1 21 1 | 0.24 | 0.994 | 2.28 | 2.49 | +8.3% | 97.3 | 7.0 | 8.7% | 3.7% | 0.999 | 15.4 | - | - | 0.247 | 0.122 | 0.954 | 0.265 | 0.261 | 0.278 | 0.954 | 0.680 | -0.019 | NOT_TESTED | 19 | |
|
||||
| 9e2t | open | pass | P 1 | P 1 | 0.10 | 0.999 | 2.35 | 2.28 | -3.3% | 91.6 | 5.7 | 29.2% | 7.2% | 0.991 | 6.6 | - | - | 0.229 | 0.052 | 0.929 | 0.232 | 0.233 | 0.242 | 0.957 | 0.380 | -0.017 | NOT_TESTED | 42 | |
|
||||
| 9ea5 | open | pass | P 1 21 1 | P 1 21 1 | 0.11 | 0.997 | 1.66 | 2.00 | +16.8% | 92.3 | 6.7 | 18.0% | 4.3% | 0.997 | 26.7 | - | - | 0.195 | 0.107 | 0.953 | 0.201 | 0.204 | 0.207 | 0.972 | 1.210 | 0.041 | ACCEPTED | 21 | |
|
||||
| 9fcf | open | pass | P 4 | P 4 | 0.21 | 1.001 | 1.78 | 2.36 | +24.7% | 99.7 | 12.8 | 34.9% | 10.3% | 0.995 | 7.1 | - | - | 0.285 | 0.075 | 0.921 | 0.292 | 0.288 | 0.257 | 1.136 | 0.790 | 0.025 | NOT_TESTED | 47 | |
|
||||
| 9fcg | open | pass | P 4 | P 4 | 0.08 | 1.000 | 1.38 | 1.54 | +10.1% | 89.9 | 11.4 | 14.6% | 8.4% | 0.997 | 9.5 | - | - | 0.180 | 0.112 | 0.956 | 0.189 | 0.191 | 0.198 | 0.954 | 2.350 | 0.061 | NOT_TESTED | 40 | |
|
||||
| 9fhc | open | pass | I 2 3 | I 2 3 | 0.27 | 0.992 | 1.89 | 2.20 | +14.0% | 94.2 | 17.5 | 16.7% | 4.7% | 0.999 | 11.9 | - | - | 0.239 | 0.100 | 0.914 | 0.246 | 0.245 | 0.238 | 1.034 | 1.360 | -0.021 | ACCEPTED | 49 | |
|
||||
| 9gdj | open | pass | P 41 21 2 | P 41 21 2 | 0.04 | 0.999 | 1.39 | 1.47 | +5.3% | 99.7 | 13.1 | 11.4% | 6.1% | 0.999 | 12.9 | - | - | 0.154 | 0.193 | 0.967 | 0.171 | 0.175 | 0.175 | 0.977 | 2.890 | -0.016 | NOT_TESTED | 169 | |
|
||||
| 9gjx | open | pass | P 1 21 1 | P 1 21 1 | 0.16 | 0.996 | 2.07 | 2.40 | +13.8% | 96.6 | 6.7 | 16.2% | 3.1% | 0.997 | 39.2 | - | - | 0.192 | 0.149 | 0.951 | 0.225 | 0.216 | 0.219 | 1.024 | 0.800 | -0.024 | NOT_TESTED | 32 | |
|
||||
| 9gqg | open | pass | P 31 2 1 | P 32 2 1 | 0.01 | 1.000 | 1.82 | 2.00 | +8.8% | 99.8 | 7.7 | 12.3% | 6.6% | 0.998 | 11.9 | - | - | 0.233 | 0.147 | 0.917 | 0.250 | 0.249 | 0.261 | 0.958 | 1.250 | 0.045 | ACCEPTED | 26 | P 31 2 1 vs reference P 32 2 1 (hand only (needs anomalous)); labelled P 32 2 1 from the model |
|
||||
| 9h0q | open | pass | R 3 2:H | H 3 2 | 0.42 | 0.990 | 2.11 | 2.55 | +17.2% | 99.7 | 10.7 | 17.0% | 4.5% | 0.998 | 18.2 | - | - | 0.206 | 0.123 | 0.933 | 0.218 | 0.223 | 0.222 | 0.982 | 1.160 | -0.022 | NOT_TESTED | 59 | |
|
||||
| 9hnc | open | fail | P 1 21 1 | P 1 2 1 | 0.07 | 0.999 | 1.64 | 1.88 | +13.0% | 91.0 | 7.0 | 12.8% | 5.3% | 0.998 | 13.6 | - | - | 0.245 | 0.151 | 0.947 | 0.254 | 0.253 | 0.211 | 1.204 | 0.880 | -0.234 | NOT_TESTED | 58 | P 1 21 1 vs reference P 1 2 1 |
|
||||
| 9hs7 | open | pass | P 61 | P 65 | 0.12 | 0.998 | 1.66 | 1.70 | +2.4% | 99.7 | 10.2 | 11.8% | 5.1% | 0.999 | 11.5 | - | - | 0.210 | 0.360 | 0.966 | 0.242 | 0.232 | 0.239 | 1.012 | 1.220 | -0.084 | ACCEPTED | 24 | P 61 vs reference P 65 (hand only (needs anomalous)); labelled P 65 from the model |
|
||||
| 9i0a | open | pass | P 21 21 2 | P 21 21 2 | 0.36 | 1.008 | 1.80 | 2.22 | +19.0% | 98.8 | 12.7 | 20.8% | 5.7% | 0.998 | 11.5 | - | - | 0.229 | 0.058 | 0.957 | 0.233 | 0.235 | 0.237 | 0.985 | 0.910 | 0.143 | NOT_TESTED | 89 | |
|
||||
| 9i80 | open | pass | P 41 | P 41 | 0.11 | 1.002 | 1.59 | 1.95 | +18.4% | 99.7 | 13.3 | 24.5% | 10.5% | 0.992 | 6.8 | - | - | 0.217 | 0.132 | 0.875 | 0.221 | 0.225 | 0.203 | 1.089 | 1.900 | 0.001 | NOT_TESTED | 63 | |
|
||||
| 9ig7 | open | pass | P 21 21 2 | P 21 21 2 | 0.21 | 0.995 | 2.02 | 2.60 | +22.4% | 99.7 | 13.8 | 21.2% | 7.3% | 0.992 | 11.0 | - | - | 0.231 | 0.084 | 0.931 | 0.247 | 0.237 | 0.259 | 0.954 | 0.860 | 0.017 | NOT_TESTED | 53 | |
|
||||
| 9ih9 | open | pass | C 1 2 1 | C 1 2 1 | 0.21 | 0.997 | 1.40 | 1.70 | +17.8% | 95.9 | 2.4 | 11.2% | 5.0% | 0.996 | 12.7 | - | - | 0.199 | 0.071 | 0.952 | 0.206 | 0.204 | 0.203 | 1.018 | 1.020 | -0.020 | NOT_TESTED | 27 | |
|
||||
| 9jq9 | open | pass | P 21 21 21 | P 21 21 21 | 0.17 | 0.996 | 1.65 | 1.90 | +13.2% | 84.9 | 10.7 | 6.9% | 4.3% | 0.999 | 19.2 | - | - | 0.212 | 0.146 | 0.937 | 0.241 | 0.222 | 0.237 | 1.019 | 4.730 | -0.008 | NOT_TESTED | 9 | |
|
||||
| 9jzo | open | pass | P 1 | P 1 | 0.14 | 0.996 | 1.15 | 1.40 | +18.0% | 61.2 | 3.3 | 5.5% | 4.2% | 0.997 | 8.3 | - | - | 0.181 | 0.037 | 0.958 | 0.178 | 0.181 | 0.195 | 0.917 | 4.450 | 0.022 | NOT_TESTED | 18 | |
|
||||
| 9khr | open | pass | P 21 21 21 | P 21 21 21 | 0.14 | 0.998 | 1.40 | 2.00 | +29.8% | 97.8 | 6.6 | 18.7% | 11.8% | 0.994 | 9.1 | - | - | 0.241 | 0.126 | 0.941 | 0.258 | 0.253 | 0.235 | 1.101 | 2.020 | 0.037 | NOT_TESTED | 10 | |
|
||||
| 9lxl | open | pass | P 41 21 2 | P 41 21 2 | 0.62 | 1.015 | 2.08 | 2.19 | +5.2% | 99.7 | 14.7 | 42.1% | 10.1% | 0.997 | 6.2 | - | - | 0.300 | 0.092 | 0.896 | 0.313 | 0.298 | 0.234 | 1.340 | 0.750 | -0.275 | NOT_TESTED | 37 | |
|
||||
| 9mh4 | open | pass | P 21 3 | P 21 3 | 0.31 | 0.991 | 2.78 | 3.05 | +8.7% | 99.7 | 40.5 | 20.0% | 4.9% | 1.000 | 13.8 | - | - | 0.227 | 0.168 | 0.916 | 0.234 | 0.236 | 0.215 | 1.089 | 1.000 | 0.006 | NOT_TESTED | 24 | |
|
||||
| 9min | open | pass | P 21 21 21 | P 21 21 21 | 0.52 | 0.986 | 1.95 | 2.05 | +5.0% | 99.5 | 16.6 | 35.6% | 8.4% | 0.997 | 10.1 | - | - | 0.269 | 0.082 | 0.935 | 0.275 | 0.274 | 0.267 | 1.028 | 0.930 | -0.023 | NOT_TESTED | 76 | |
|
||||
| 9o0h | open | pass | P 21 21 21 | P 21 21 21 | 0.34 | 0.991 | 2.01 | 2.24 | +10.1% | 99.6 | 12.7 | 67.7% | 13.5% | 0.985 | 5.4 | - | - | 0.241 | 0.070 | 0.944 | 0.251 | 0.245 | 0.249 | 1.008 | 0.330 | 0.040 | NOT_TESTED | 39 | |
|
||||
| 9p7q | open | pass | C 1 2 1 | C 1 2 1 | 0.13 | 1.003 | 1.78 | 2.21 | +19.5% | 90.1 | 2.7 | 29.5% | 9.1% | 0.986 | 10.8 | - | - | 0.268 | 0.052 | 0.948 | 0.281 | 0.270 | 0.259 | 1.088 | 0.720 | -0.034 | NOT_TESTED | 11 | |
|
||||
| 9pbb | open | pass | C 1 2 1 | C 1 2 1 | 0.15 | 0.997 | 1.80 | 2.17 | +17.1% | 76.8 | 2.5 | 21.6% | 6.9% | 0.994 | 15.9 | - | - | 0.231 | 0.043 | 0.974 | 0.234 | 0.233 | 0.223 | 1.048 | 0.410 | -0.093 | NOT_TESTED | 13 | |
|
||||
| 9q41 | open | pass | C 2 2 21 | C 2 2 21 | 0.21 | 1.003 | 1.68 | 1.95 | +14.1% | 99.7 | 6.8 | 31.7% | 13.3% | 0.982 | 7.5 | - | - | 0.192 | 0.043 | 0.961 | 0.192 | 0.194 | 0.213 | 0.903 | 0.350 | 0.053 | NOT_TESTED | 26 | |
|
||||
| 9q66 | open | pass | P 1 21 1 | P 1 21 1 | 0.39 | 0.989 | 2.07 | 2.01 | -2.8% | 99.7 | 7.1 | 30.9% | 8.1% | 0.990 | 13.0 | - | - | 0.201 | 0.084 | 0.903 | 0.214 | 0.213 | 0.266 | 0.804 | 0.660 | -0.024 | NOT_TESTED | 34 | |
|
||||
| 9qvv | open | pass | I 2 2 2 | I 2 2 2 | 0.08 | 1.001 | 2.53 | 2.72 | +7.1% | 89.4 | 13.8 | 10.8% | 2.2% | 1.000 | 38.1 | - | - | 0.247 | 0.229 | 0.864 | 0.251 | 0.264 | 0.279 | 0.897 | 1.660 | -0.034 | NOT_TESTED | 28 | |
|
||||
| 9qw2 | open | pass | P 1 21 1 | P 1 21 1 | 0.62 | 0.996 | 1.82 | 1.92 | +5.2% | 99.7 | 3.6 | 22.3% | 7.5% | 0.960 | 6.4 | - | - | 0.243 | 0.046 | 0.907 | 0.253 | 0.247 | 0.212 | 1.192 | 0.120 | -0.325 | ACCEPTED | 31 | |
|
||||
| 9qw8 | open | pass | P 1 | P 1 | 0.67 | 0.993 | 1.69 | 1.80 | +6.2% | 97.3 | 3.4 | 27.0% | 12.2% | 0.976 | 5.2 | - | - | 0.323 | 0.142 | 0.832 | 0.330 | 0.331 | 0.243 | 1.357 | 0.320 | -0.422 | ACCEPTED | 58 | |
|
||||
| 9rci | open | pass | P 1 | P 1 | 0.33 | 0.995 | 1.69 | 1.66 | -1.9% | 96.9 | 3.5 | 21.3% | 8.3% | 0.988 | 7.5 | - | - | 0.264 | 0.086 | 0.875 | 0.270 | 0.271 | 0.283 | 0.952 | 0.320 | -0.129 | ACCEPTED | 21 | |
|
||||
| 9rcs | open | pass | P 1 21 1 | P 1 21 1 | 0.85 | 1.020 | 3.28 | 3.01 | -8.9% | 99.8 | 7.0 | 23.1% | 9.7% | 0.995 | 7.4 | - | - | 0.318 | 0.117 | 0.500 | 0.342 | 0.325 | 0.317 | 1.078 | 0.450 | -0.211 | ACCEPTED | 18 | |
|
||||
| 9rp9 | open | pass | C 1 2 1 | C 1 2 1 | 0.25 | 0.994 | 1.96 | 2.10 | +6.9% | 99.7 | 6.2 | 16.4% | 4.7% | 0.998 | 28.5 | - | - | 0.202 | 0.125 | 0.928 | 0.234 | 0.227 | 0.222 | 1.055 | 2.310 | 0.052 | NOT_TESTED | 22 | |
|
||||
| 9s02 | open | pass | P 21 21 2 | P 21 21 2 | 0.09 | 0.998 | 1.43 | 1.65 | +13.3% | 98.9 | 12.5 | 10.5% | 3.3% | 0.999 | 25.6 | - | - | 0.180 | 0.090 | 0.961 | 0.186 | 0.187 | 0.193 | 0.966 | 2.260 | 0.038 | ACCEPTED | 44 | |
|
||||
| 9sl0 | open | pass | P 21 21 21 | P 21 21 21 | 0.39 | 0.991 | 1.37 | 1.60 | +14.6% | 99.4 | 12.4 | 8.0% | 3.7% | 1.000 | 20.0 | - | - | 0.245 | 0.150 | 0.912 | 0.254 | 0.255 | 0.264 | 0.963 | 2.230 | 0.003 | NOT_TESTED | 61 | |
|
||||
| 9t6s | open | pass | P 21 21 21 | P 21 21 21 | 0.41 | 0.989 | 1.75 | 2.00 | +12.7% | 95.9 | 5.2 | 10.9% | 3.6% | 0.999 | 28.4 | - | - | 0.215 | 0.029 | 0.969 | 0.231 | 0.216 | 0.241 | 0.955 | 2.440 | 0.086 | NOT_TESTED | 34 | |
|
||||
| 9upt | open | pass | P 6 | P 6 | 0.20 | 0.994 | 2.03 | 2.37 | +14.4% | 99.7 | 5.7 | 24.4% | 10.8% | 0.989 | 6.5 | - | - | 0.218 | 0.088 | 0.942 | 0.218 | 0.225 | 0.215 | 1.016 | 1.320 | -0.046 | NOT_TESTED | 18 | |
|
||||
| 9v16 | open | pass | P 41 21 2 | P 41 21 2 | 0.20 | 0.998 | 2.91 | 3.45 | +15.8% | 99.7 | 13.9 | 33.0% | 4.8% | 0.997 | 15.2 | - | - | 0.262 | 0.079 | 0.878 | 0.268 | 0.268 | 0.235 | 1.140 | 0.380 | 0.082 | NOT_TESTED | 75 | |
|
||||
| 9vyb | open | pass | P 21 21 21 | P 21 21 21 | 0.41 | 0.988 | 1.67 | 2.12 | +21.1% | 87.4 | 10.1 | 8.2% | 3.5% | 1.000 | 22.2 | - | - | 0.247 | 0.070 | 0.934 | 0.254 | 0.249 | 0.269 | 0.941 | 0.420 | 0.008 | NOT_TESTED | 26 | |
|
||||
| 9w3y | open | pass | P 21 21 21 | P 21 21 21 | 0.33 | 1.004 | 1.22 | 1.50 | +18.9% | 99.7 | 6.7 | 24.3% | 5.2% | 0.997 | 18.6 | - | - | 0.185 | 0.087 | 0.973 | 0.196 | 0.195 | 0.198 | 0.990 | 4.900 | 0.042 | NOT_TESTED | 20 | |
|
||||
| 9yl4 | open | pass | P 21 21 21 | P 21 21 21 | 0.07 | 1.000 | 3.61 | 3.70 | +2.5% | 99.7 | 13.4 | 31.0% | 9.2% | 0.997 | 9.8 | - | - | 0.293 | 0.063 | 0.882 | 0.302 | 0.297 | 0.283 | 1.066 | 5.780 | -0.019 | NOT_TESTED | 27 | |
|
||||
| 9yzk | open | pass | I 1 2 1 | I 1 2 1 | 0.26 | 0.996 | 3.87 | 5.10 | +24.2% | 98.6 | 3.3 | 31.9% | 4.0% | 0.999 | 8.8 | - | - | 0.323 | 0.122 | 0.919 | 0.331 | 0.326 | 0.304 | 1.090 | 0.110 | 0.043 | ACCEPTED | 15 | |
|
||||
| 9z44 | open | pass | I 1 2 1 | I 1 2 1 | 1.25 | 0.965 | 6.78 | 7.20 | +5.8% | 98.4 | 3.3 | 21.8% | 9.1% | 0.974 | 9.5 | - | - | 0.333 | 0.095 | 0.822 | 0.326 | 0.336 | 0.345 | 0.943 | 0.030 | 0.059 | ACCEPTED | 14 | |
|
||||
| 9z72 | open | pass | P 31 2 1 | P 31 2 1 | 0.14 | 1.004 | 2.00 | 2.38 | +16.0% | 99.7 | 9.8 | 93.0% | 11.5% | 0.988 | 14.9 | - | - | 0.241 | 0.040 | 0.914 | 0.256 | 0.244 | 0.269 | 0.950 | 0.680 | 0.032 | NOT_TESTED | 33 | |
|
||||
| 9zlo | open | pass | P 21 21 21 | P 21 21 21 | 0.26 | 0.996 | 1.56 | 2.00 | +21.8% | 99.6 | 12.7 | 12.0% | 3.9% | 0.999 | 23.5 | - | - | 0.221 | 0.065 | 0.942 | 0.230 | 0.226 | 0.219 | 1.051 | 1.730 | -0.024 | NOT_TESTED | 27 | |
|
||||
| 9zm0 | open | pass | P 1 21 1 | P 1 21 1 | 0.70 | 0.983 | 1.79 | 2.10 | +14.7% | 99.7 | 6.5 | 24.1% | 10.0% | 0.996 | 8.9 | - | - | 0.256 | 0.080 | 0.956 | 0.276 | 0.258 | 0.298 | 0.926 | 4.660 | -0.028 | NOT_TESTED | 11 | |
|
||||
| 9zmu | open | pass | P 61 2 2 | P 65 2 2 | 0.07 | 1.001 | 1.72 | 1.98 | +13.2% | 99.7 | 29.5 | 29.8% | 6.9% | 0.999 | 11.3 | - | - | 0.277 | 0.150 | 0.894 | 0.282 | 0.288 | 0.294 | 0.961 | 1.230 | 0.011 | ACCEPTED | 46 | P 61 2 2 vs reference P 65 2 2 (hand only (needs anomalous)); labelled P 65 2 2 from the model |
|
||||
| cuhf2 | open | unscored | P 4 2 2 | - | - | - | 0.51 | - | - | 82.1 | 13.9 | 2.8% | 2.1% | 1.000 | 44.3 | - | - | - | - | - | - | - | - | - | - | - | - | 37 | no reference to score against |
|
||||
| cytidine | open | pass | P 21 21 21 | P 21 21 21 | 0.33 | 0.994 | 0.58 | - | - | 90.9 | 3.6 | 10.2% | 9.3% | 0.997 | 8.5 | - | - | - | - | - | - | - | - | - | - | - | - | 10 | |
|
||||
| dnba | open | pass | C 1 2/c 1 | C 1 2/c 1 | 0.09 | 1.000 | 0.81 | 0.48 | -68.3% | 76.0 | 2.7 | 2.4% | 1.7% | 1.000 | 39.5 | - | - | - | - | - | - | - | - | - | - | - | - | 7 | |
|
||||
| lalanine | open | pass | P 21 21 21 | P 21 21 21 | 0.09 | 0.999 | 0.65 | - | - | 77.6 | 2.6 | 2.4% | 1.6% | 1.000 | 51.3 | - | - | - | - | - | - | - | - | - | - | - | - | 15 | |
|
||||
| metformin | open | pass | P 1 21/c 1 | P 1 21/c 1 | 0.17 | 1.001 | 0.51 | 0.45 | -12.9% | 73.5 | 4.8 | 3.1% | 2.8% | 1.000 | 31.0 | - | - | - | - | - | - | - | - | - | - | - | - | 7 | |
|
||||
| nidppe | open | pass | P 1 21/c 1 | P 1 21/c 1 | 0.28 | 0.998 | 0.51 | 0.77 | +34.3% | 66.6 | 5.3 | 8.0% | 4.1% | 0.999 | 29.7 | - | - | - | - | - | - | - | - | - | - | - | - | 6 | |
|
||||
| aspirin_x10sa_20keV | inhouse | pass | P 1 21/c 1 | P 1 21/c 1 | 0.04 | 1.000 | 0.66 | 0.68 | +2.6% | 79.5 | 5.9 | 3.0% | 2.3% | 1.000 | 35.5 | 27.4 | - | - | - | - | - | - | - | - | - | - | - | 20 | |
|
||||
| aspirin_x10sa_25keV | inhouse | pass | P 1 21/c 1 | P 1 21/c 1 | 0.05 | 1.001 | 0.53 | 0.55 | +3.6% | 79.2 | 6.0 | 3.1% | 2.2% | 1.000 | 34.5 | 29.2 | - | - | - | - | - | - | - | - | - | - | - | 12 | |
|
||||
| citricacid_x10sa_20keV | inhouse | pass | P 1 21/c 1 | P 1 21/c 1 | 0.11 | 1.000 | 0.67 | 0.68 | +1.8% | 78.7 | 5.1 | 4.1% | 4.8% | 0.997 | 23.0 | 20.4 | - | - | - | - | - | - | - | - | - | - | - | 13 | |
|
||||
| cytc_x06da_1 | inhouse | pass | P 31 2 1 | P 31 2 1 | 0.03 | 0.999 | 1.71 | 1.88 | +9.1% | 98.7 | 18.1 | 9.3% | 3.9% | 1.000 | 17.5 | 24.5 | - | 0.264 | 0.270 | 0.927 | 0.335 | 0.292 | 0.296 | 1.132 | 5.410 | - | ACCEPTED | 17 | labelled P 32 2 1 from the model |
|
||||
| cytc_x06da_2 | inhouse | pass | P 31 2 1 | P 31 2 1 | 0.09 | 1.002 | 1.57 | 1.69 | +6.8% | 99.6 | 17.6 | 9.5% | 3.4% | 1.000 | 23.0 | 27.0 | - | 0.253 | 0.215 | 0.925 | 0.306 | 0.278 | 0.286 | 1.069 | 6.240 | - | ACCEPTED | 20 | labelled P 32 2 1 from the model |
|
||||
| cytc_x10sa | inhouse | pass | P 31 2 1 | P 31 2 1 | 0.10 | 1.003 | 1.95 | 2.27 | +13.8% | 99.7 | 20.1 | 20.0% | 4.0% | 1.000 | 26.4 | 31.8 | - | 0.263 | 0.256 | 0.938 | 0.356 | 0.287 | 0.340 | 1.046 | 2.740 | - | ACCEPTED | 27 | labelled P 32 2 1 from the model |
|
||||
| hepes_x10sa_20keV | inhouse | pass | P b c a | P b c a | 0.14 | 0.998 | 0.66 | 0.68 | +2.8% | 86.6 | 10.3 | 2.7% | 3.7% | 0.999 | 37.0 | 28.5 | - | - | - | - | - | - | - | - | - | - | - | 18 | |
|
||||
| insu_H_x06da_notwin | inhouse | pass | R 3:H | R 3 | 0.07 | 0.999 | 1.41 | 1.54 | +8.5% | 91.1 | 8.6 | 6.2% | 4.2% | 0.999 | 20.4 | 17.7 | - | 0.229 | 0.109 | 0.935 | 0.215 | 0.233 | 0.229 | 0.940 | 5.990 | - | ACCEPTED | 12 | |
|
||||
| insu_H_x06da_twin | inhouse | pass | R 3:H | R 3 | 0.03 | 1.000 | 1.38 | 1.46 | +4.9% | 90.9 | 8.5 | 12.4% | 11.0% | 0.995 | 6.2 | 6.8 | - | 0.264 | 0.089 | 0.883 | 0.254 | 0.266 | 0.229 | 1.112 | 4.430 | - | ACCEPTED | 12 | |
|
||||
| insu_I_x06da_13keV | inhouse | pass | I 2 3 | I 2 3 | 0.03 | 0.999 | 1.46 | 1.64 | +10.9% | 99.7 | 38.8 | 33.2% | 8.4% | 0.999 | - | 18.8 | - | 0.234 | 0.028 | 0.941 | 0.258 | 0.234 | 0.161 | 1.600 | 1.190 | - | ACCEPTED | 18 | |
|
||||
| insu_I_x06da_5keV | inhouse | pass | I 2 3 | I 2 3 | 0.04 | 0.999 | 2.43 | 2.45 | +0.9% | 95.3 | 28.1 | 6.6% | 4.5% | 1.000 | 27.9 | 17.5 | - | 0.221 | 0.103 | 0.923 | 0.246 | 0.228 | 0.161 | 1.530 | 8.090 | - | NOT_TESTED | 8 | |
|
||||
| insu_I_x06da_5keV_2 | inhouse | pass | I 2 3 | I 2 3 | 0.07 | 0.998 | 2.43 | 2.45 | +0.9% | 94.5 | 29.6 | 7.8% | 5.1% | 1.000 | 32.1 | 20.0 | - | 0.236 | 0.310 | 0.876 | 0.334 | 0.310 | 0.161 | 2.071 | 9.370 | - | NOT_TESTED | 10 | |
|
||||
| insu_I_x06da_6keV | inhouse | pass | I 2 3 | I 2 3 | 0.08 | 0.998 | 2.02 | 2.04 | +0.7% | 95.5 | 28.4 | 6.1% | 4.8% | 1.000 | 20.6 | 17.9 | - | 0.214 | 0.038 | 0.933 | 0.236 | 0.214 | 0.161 | 1.466 | 11.770 | - | NOT_TESTED | 9 | |
|
||||
| insu_I_x06da_low_isa | inhouse | pass | I 2 3 | I 2 3 | 0.02 | 1.001 | 1.47 | 1.30 | -13.2% | 95.7 | 20.8 | 12.7% | 3.9% | 1.000 | 28.8 | 4.2 | - | 0.221 | 0.096 | 0.944 | 0.246 | 0.224 | 0.161 | 1.530 | 3.190 | - | ACCEPTED | 16 | |
|
||||
| insu_I_x06da_ref | inhouse | pass | I 2 3 | I 2 3 | 0.14 | 1.004 | 1.41 | 1.62 | +12.8% | 99.7 | 25.6 | 34.6% | 6.6% | 0.999 | 32.5 | 25.1 | - | 0.226 | 0.083 | 0.937 | 0.244 | 0.227 | 0.161 | 1.519 | 3.280 | - | ACCEPTED | 15 | |
|
||||
| insu_I_x06da_weak | inhouse | pass | I 2 3 | I 2 3 | 0.85 | 1.026 | 1.64 | 1.81 | +9.4% | 99.8 | 40.1 | 17.1% | 4.9% | 1.000 | 14.7 | 18.9 | - | 0.286 | 0.146 | 0.918 | 0.320 | 0.288 | 0.161 | 1.985 | 2.030 | - | NOT_TESTED | 21 | |
|
||||
| kdp_x10sa_20keV | inhouse | pass | I 41 m d | I -4 2 d | 0.04 | 1.001 | 0.66 | 0.74 | +10.3% | 90.9 | 16.7 | 5.5% | 4.8% | 0.998 | 24.0 | 4.1 | - | - | - | - | - | - | - | - | - | - | - | 33 | I 41 m d vs reference I -4 2 d: same Laue class and absences, undecidable from intensities (listed in SPACE_GROUP_ALTERNATIVES) |
|
||||
| lcystine_x10sa_20keV | inhouse | pass | P 61 2 2 | P 61 2 2 | 0.52 | 0.991 | 0.67 | - | - | 92.7 | 18.4 | 40.7% | 16.7% | 0.999 | 3.8 | - | - | - | - | - | - | - | - | - | - | - | - | 45 | |
|
||||
| lcystine_x10sa_25keV | inhouse | pass | P 61 2 2 | P 61 2 2 | 0.54 | 0.989 | 0.53 | - | - | 92.0 | 17.9 | 39.9% | 17.1% | 0.998 | 4.4 | - | - | - | - | - | - | - | - | - | - | - | - | 48 | |
|
||||
| lysoI_micromax_mono | inhouse | pass | P 41 21 2 | P 43 21 2 | 0.06 | 0.999 | 1.37 | 1.65 | +17.0% | 99.0 | 9.7 | 7.0% | 2.9% | 1.000 | 36.4 | 31.4 | - | 0.272 | 0.076 | 0.906 | 0.292 | 0.276 | 0.177 | 1.647 | 3.230 | - | ACCEPTED | 25 | P 41 21 2 vs reference P 43 21 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lysoI_micromax_pink | inhouse | pass | P 41 21 2 | P 43 21 2 | 0.04 | 1.000 | 1.39 | 1.65 | +15.6% | 99.3 | 10.0 | 8.1% | 3.2% | 1.000 | 35.5 | 29.2 | - | 0.274 | 0.073 | 0.900 | 0.295 | 0.278 | 0.177 | 1.664 | 2.420 | - | ACCEPTED | 28 | P 41 21 2 vs reference P 43 21 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lyso_micromax_mono | inhouse | pass | P 41 21 2 | P 43 21 2 | 0.17 | 1.003 | 1.18 | 1.50 | +21.5% | 79.1 | 8.3 | 5.0% | 2.5% | 1.000 | 41.1 | 39.9 | - | 0.232 | 0.157 | 0.932 | 0.248 | 0.242 | 0.177 | 1.400 | 4.450 | - | ACCEPTED | 27 | P 41 21 2 vs reference P 43 21 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lyso_micromax_pink | inhouse | pass | P 41 21 2 | P 43 21 2 | 0.14 | 1.003 | 1.20 | 1.45 | +17.0% | 83.6 | 8.3 | 5.1% | 2.5% | 1.000 | 41.5 | 37.4 | - | 0.235 | 0.181 | 0.931 | 0.257 | 0.250 | 0.177 | 1.451 | 4.370 | - | ACCEPTED | 27 | P 41 21 2 vs reference P 43 21 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lyso_x06da_5keV | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.06 | 0.999 | 2.44 | 2.45 | +0.6% | 86.7 | 19.7 | 6.5% | 5.4% | 0.999 | 26.9 | 19.4 | - | 0.279 | 0.171 | 0.826 | 0.295 | 0.295 | 0.177 | 1.667 | 5.860 | - | ACCEPTED | 8 | labelled P 43 21 2 from the model |
|
||||
| lyso_x06da_atten_wedge | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.32 | 1.007 | 1.20 | 1.26 | +4.8% | 99.7 | 23.0 | 41.3% | 6.9% | 0.998 | 13.3 | 16.6 | - | 0.296 | 0.061 | 0.895 | 0.307 | 0.296 | 0.177 | 1.732 | 1.940 | - | ACCEPTED | 17 | labelled P 43 21 2 from the model |
|
||||
| lyso_x06da_half_image | inhouse | pass | P 41 21 2 | P 43 21 2 | 1.02 | 1.027 | 1.57 | 1.65 | +4.6% | 99.8 | 12.0 | 245.2% | 35.0% | 0.959 | 4.4 | 6.6 | - | 0.300 | 0.181 | 0.803 | 0.332 | 0.328 | 0.177 | 1.873 | 0.920 | - | ACCEPTED | 24 | P 41 21 2 vs reference P 43 21 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lyso_x06da_ice | inhouse | pass | P 41 21 2 | P 4 2 2 | 0.11 | 1.002 | 1.33 | 1.43 | +7.2% | 99.7 | 19.4 | 19.3% | 4.7% | 0.999 | 22.4 | 23.3 | - | 0.289 | 0.118 | 0.902 | 0.315 | 0.295 | 0.177 | 1.777 | 2.560 | - | ACCEPTED | 15 | P 41 21 2 vs reference P 4 2 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lyso_x06da_ref | inhouse | pass | P 41 21 2 | P 4 2 2 | 0.03 | 1.001 | 0.99 | 1.20 | +17.2% | 85.7 | 22.2 | 4.8% | 2.7% | 1.000 | 30.1 | 28.3 | - | 0.271 | 0.100 | 0.902 | 0.287 | 0.275 | 0.177 | 1.622 | 9.770 | - | ACCEPTED | 18 | P 41 21 2 vs reference P 4 2 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lyso_x10sa_90deg_1 | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.12 | 0.998 | 1.82 | 1.97 | +7.2% | 99.8 | 6.4 | 17.6% | 4.6% | 0.998 | 20.5 | 20.8 | - | 0.380 | 0.095 | 0.817 | 0.369 | 0.386 | 0.177 | 2.084 | 0.340 | - | ACCEPTED | 12 | labelled P 43 21 2 from the model |
|
||||
| lyso_x10sa_90deg_2 | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.16 | 0.997 | 1.85 | 1.97 | +6.2% | 99.8 | 6.4 | 17.0% | 4.8% | 0.998 | 19.0 | 18.1 | - | 0.380 | 0.104 | 0.821 | 0.376 | 0.386 | 0.177 | 2.120 | 0.580 | - | ACCEPTED | 13 | labelled P 43 21 2 from the model |
|
||||
| lyso_x10sa_strong | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.65 | 0.981 | 1.36 | 1.24 | -9.4% | 99.3 | 21.4 | 23.7% | 10.8% | 0.995 | 5.5 | 8.6 | - | 0.378 | 0.190 | 0.847 | 0.365 | 0.381 | 0.177 | 2.059 | 1.610 | - | ACCEPTED | 45 | labelled P 43 21 2 from the model |
|
||||
| myob_x06da | inhouse | pass | P 1 21 1 | P 1 21 1 | 0.13 | 1.002 | 1.24 | 1.42 | +12.7% | 99.7 | 6.7 | 17.0% | 4.3% | 0.998 | 22.9 | 7.6 | - | 0.229 | 0.115 | 0.952 | 0.236 | 0.237 | 0.218 | 1.081 | 3.500 | - | NOT_TESTED | 16 | |
|
||||
| myob_x06da_powder_1 | inhouse | pass | P 1 21 1 | P 1 21 1 | 0.26 | 0.994 | 1.73 | 1.50 | -15.9% | 98.9 | 4.5 | 74.4% | 18.0% | 0.578 | 3.8 | 5.5 | - | 0.492 | 0.311 | 0.171 | 0.523 | 0.507 | 0.218 | 2.401 | -0.260 | - | ACCEPTED | 19 | |
|
||||
| myob_x06da_powder_2 | inhouse | pass | P 1 21 1 | P 1 21 1 | 0.45 | 0.996 | 1.47 | 0.99 | -48.8% | 99.5 | 5.5 | 174.0% | 33.5% | 0.783 | 2.3 | 2.2 | - | 0.490 | 0.117 | 0.048 | 0.501 | 0.500 | 0.218 | 2.298 | 1.420 | - | NOT_TESTED | 27 | |
|
||||
| myob_x06da_sparse | inhouse | pass | P 1 21 1 | P 1 21 1 | 0.41 | 0.995 | 1.78 | 2.00 | +10.9% | 99.7 | 5.4 | 41.2% | 13.6% | 0.950 | 4.4 | 5.5 | - | 0.424 | 0.112 | 0.776 | 0.425 | 0.424 | 0.218 | 1.949 | 1.090 | - | NOT_TESTED | 30 | |
|
||||
| myob_x06da_split | inhouse | pass | P 1 21 1 | P 1 21 1 | 0.20 | 0.997 | 1.86 | 1.51 | -23.3% | 99.6 | 5.7 | 78.2% | 19.8% | 0.700 | 2.7 | 12.4 | - | 0.397 | 0.165 | 0.312 | 0.402 | 0.408 | 0.218 | 1.844 | 0.390 | - | NOT_TESTED | 20 | |
|
||||
| myob_x10sa | inhouse | pass | P 1 21 1 | P 1 21 1 | 0.30 | 1.005 | 1.56 | 1.74 | +10.4% | 97.4 | 5.7 | 16.9% | 7.7% | 0.996 | 11.1 | 5.2 | - | 0.242 | 0.041 | 0.935 | 0.246 | 0.244 | 0.218 | 1.129 | 2.050 | - | NOT_TESTED | 18 | |
|
||||
| nothing_1 | inhouse | pass | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 26 | no lattice reported, as expected |
|
||||
| nothing_2 | inhouse | pass | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 24 | no lattice reported, as expected |
|
||||
| thau_bl1a_3p8keV | inhouse | pass | P 41 21 2 | P 4 2 2 | 0.06 | 0.998 | 3.02 | 3.10 | +2.7% | 88.8 | 15.5 | 7.0% | 5.8% | 0.998 | 31.5 | 30.8 | - | 0.185 | 0.030 | 0.935 | 0.188 | 0.186 | 0.151 | 1.240 | 8.940 | - | NOT_TESTED | 15 | P 41 21 2 vs reference P 4 2 2 (screws not judged against XDS) |
|
||||
| thau_bl1a_4p6keV | inhouse | pass | P 41 21 2 | P 4 2 2 | 0.06 | 0.998 | 2.47 | 2.53 | +2.5% | 88.4 | 15.8 | 6.9% | 5.3% | 0.999 | 35.1 | 35.6 | - | 0.183 | 0.028 | 0.943 | 0.175 | 0.185 | 0.151 | 1.157 | 8.580 | - | NOT_TESTED | 14 | P 41 21 2 vs reference P 4 2 2 (screws not judged against XDS) |
|
||||
| thau_bl1a_6p5keV | inhouse | pass | P 41 21 2 | P 4 2 2 | 0.03 | 0.999 | 1.74 | 1.78 | +2.5% | 88.6 | 16.1 | 7.5% | 4.7% | 0.999 | 42.7 | 34.5 | - | 0.191 | 0.050 | 0.951 | 0.183 | 0.194 | 0.151 | 1.208 | 6.730 | - | NOT_TESTED | 17 | P 41 21 2 vs reference P 4 2 2 (screws not judged against XDS) |
|
||||
| thau_micromax_pink | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.21 | 0.995 | 1.24 | 1.40 | +11.8% | 94.1 | 13.7 | 8.8% | 5.1% | 0.999 | 15.7 | 21.2 | - | 0.190 | 0.182 | 0.963 | 0.207 | 0.208 | 0.151 | 1.369 | 3.900 | - | NOT_TESTED | 24 | |
|
||||
| thau_x10sa_0p1deg | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.22 | 0.993 | 1.89 | 2.20 | +13.9% | 85.4 | 17.1 | 14.6% | 7.2% | 0.998 | 10.8 | 9.2 | - | 0.238 | 0.034 | 0.927 | 0.237 | 0.241 | 0.151 | 1.567 | 1.330 | - | NOT_TESTED | 26 | |
|
||||
| thau_x10sa_16keV | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.02 | 1.000 | 1.22 | 1.30 | +6.3% | 82.5 | 17.6 | 7.1% | 2.9% | 1.000 | 50.9 | 44.5 | - | 0.228 | 0.122 | 0.942 | 0.231 | 0.235 | 0.151 | 1.527 | 2.390 | - | NOT_TESTED | 23 | |
|
||||
| thau_x10sa_injection | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.02 | 1.000 | 1.26 | 1.28 | +1.6% | 82.5 | 19.0 | 3.9% | 2.6% | 1.000 | 32.9 | 36.2 | - | 0.228 | 0.039 | 0.939 | 0.224 | 0.229 | 0.151 | 1.477 | 9.630 | - | NOT_TESTED | 38 | |
|
||||
| yag_x10sa_20keV | inhouse | pass | I a -3 d | I a -3 d | 0.03 | 0.999 | 0.66 | 0.68 | +2.4% | 96.2 | 34.9 | 40.3% | 44.7% | 0.640 | 2.9 | 3.2 | - | - | - | - | - | - | - | - | - | - | - | 16 | |
|
||||
File diff suppressed because it is too large
Load Diff
+7271
File diff suppressed because it is too large
Load Diff
@@ -0,0 +1,946 @@
|
||||
# Rugnux battery - 20261011-1440_57fef1_rc175-57fef1c-full
|
||||
|
||||
- rugnux 1.0.0-rc.175, sha256 b03ee8e676f4bc87, build flags: Release CXX_FLAGS='-march=x86-64-v3' CUDA=ON
|
||||
- runner 57fef1cf4, host mpc2898.psi.ch, 2026-10-11T14:40:26 -> 2026-10-11T16:12:16
|
||||
- hardware: AMD Ryzen 9 5950X 16-Core Processor, 3.40 GHz nominal (acpi_cppc), 5.08 GHz max boost, 16C/32T, 1 socket(s), 125 GiB RAM, GPU: NVIDIA GeForce RTX 5080 (16303 MiB)
|
||||
- arms: open, inhouse; 255 sets (full arm)
|
||||
- timing: NOT a reference - the GPU was shared
|
||||
- command options: (none beyond output selection)
|
||||
- command, open arm: `rugnux --model <deposited coordinates> <input>` (without --model where there is no deposited model: small molecules, unpublished sets)
|
||||
- command, inhouse arm: `rugnux --report-resolution <XDS d_min>,<XDS d_max> [--model <reference model>] <input>`: the second statistics table at XDS's range is report-only; where XDS kept Friedel mates apart the scorer reads the run's own per-hand table, which needs no flag. --model where the set names a PDB entry of its crystal form (the standard proteins)
|
||||
|
||||
## Summary
|
||||
|
||||
| arm | sets | pass | of which alt | fail | crash | unscored | not run | pass rate | median res. gain | median ISa | median R_meas | median time s | total time min |
|
||||
|:--|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|
|
||||
| open | 208 | 195 | 4 | 10 | 0 | 3 | 0 | 195/205 (95%) | +11.9% | 13.5 | 14.3% | 18 | 77.9 |
|
||||
| inhouse | 47 | 47 | 0 | 0 | 0 | 0 | 0 | 47/47 (100%) | +6.2% | 22.9 | 9.5% | 9 | 8.2 |
|
||||
|
||||
_Plot in report.html: verdicts per arm_
|
||||
|
||||
Pass rate is over the scored sets (pass + fail + crash). `of which alt` counts the passes that are already in `pass`: rows where the answer matched an accepted alternative reference rather than the deposition, listed under Accepted alternatives below. In the bar chart they are drawn as their own segment. Every number in this table is rugnux's own run at its own resolution cut: what a user gets. Resolution gain is (reference d_min - our d_min) / reference d_min: positive = finer than the deposition, or than XDS. Medians leave out the no-crystal controls. R_meas and CC1/2 are pooled over each run's own resolution range, so they describe a run and do not rank two; the like-for-like comparison with XDS is the reference-range table below. Each set runs once, so every time includes reading its images from disk (unless they were still in the page cache from before the run).
|
||||
|
||||
### By population
|
||||
|
||||
| arm | population | sets | pass rate | median res. gain |
|
||||
|:--|:--|--:|:--|--:|
|
||||
| open | SMV | 2 | 2/2 (100%) | +11.3% |
|
||||
| open | cbf | 99 | 94/97 (97%) | +11.7% |
|
||||
| open | cdte | 3 | 3/3 (100%) | +5.3% |
|
||||
| open | cubic | 13 | 13/13 (100%) | +15.5% |
|
||||
| open | diffuse | 4 | 4/4 (100%) | +9.9% |
|
||||
| open | h5 | 58 | 58/58 (100%) | +12.5% |
|
||||
| open | hexagonal | 19 | 18/18 (100%) | +13.2% |
|
||||
| open | home-source | 11 | 8/11 (73%) | +12.7% |
|
||||
| open | large-cell | 5 | 5/5 (100%) | +9.5% |
|
||||
| open | long-axis | 6 | 6/6 (100%) | +14.8% |
|
||||
| open | long-wavelength | 2 | 2/2 (100%) | +8.2% |
|
||||
| open | low-resolution | 1 | 1/1 (100%) | -8.3% |
|
||||
| open | marCCD | 17 | 16/17 (94%) | +11.9% |
|
||||
| open | marccd | 8 | 7/8 (88%) | +11.7% |
|
||||
| open | monoclinic | 50 | 44/50 (88%) | +11.7% |
|
||||
| open | nxs | 2 | 1/1 (100%) | +7.1% |
|
||||
| open | orthorhombic | 49 | 47/48 (98%) | +11.5% |
|
||||
| open | pseudo-merohedral | 5 | 2/5 (40%) | +8.4% |
|
||||
| open | pseudo-symmetry | 7 | 6/7 (86%) | +8.3% |
|
||||
| open | small-molecule | 6 | 5/5 (100%) | -12.9% |
|
||||
| open | smv | 22 | 17/22 (77%) | +10.6% |
|
||||
| open | tetragonal | 25 | 24/25 (96%) | +10.3% |
|
||||
| open | tncs | 5 | 4/5 (80%) | +12.6% |
|
||||
| open | triclinic | 13 | 13/13 (100%) | +8.6% |
|
||||
| open | trigonal | 19 | 18/19 (95%) | +13.8% |
|
||||
| open | twin | 15 | 10/15 (67%) | +9.7% |
|
||||
| open | two-wavelength | 2 | 2/2 (100%) | +10.8% |
|
||||
| open | virus | 1 | 1/1 (100%) | +9.5% |
|
||||
| inhouse | control | 2 | 2/2 (100%) | - |
|
||||
| inhouse | cubic | 1 | 1/1 (100%) | +2.4% |
|
||||
| inhouse | cytochrome-c | 3 | 3/3 (100%) | +9.1% |
|
||||
| inhouse | h5 | 47 | 47/47 (100%) | +6.2% |
|
||||
| inhouse | hexagonal | 2 | 2/2 (100%) | - |
|
||||
| inhouse | insulin | 9 | 9/9 (100%) | +4.9% |
|
||||
| inhouse | iodine | 2 | 2/2 (100%) | +16.3% |
|
||||
| inhouse | long-wavelength | 7 | 7/7 (100%) | +0.9% |
|
||||
| inhouse | lysozyme | 12 | 12/12 (100%) | +7.2% |
|
||||
| inhouse | monoclinic | 3 | 3/3 (100%) | +2.6% |
|
||||
| inhouse | myoglobin | 6 | 6/6 (100%) | -2.7% |
|
||||
| inhouse | orthorhombic | 1 | 1/1 (100%) | +2.8% |
|
||||
| inhouse | pink-beam | 3 | 3/3 (100%) | +15.6% |
|
||||
| inhouse | small-molecule | 8 | 8/8 (100%) | +2.7% |
|
||||
| inhouse | tetragonal | 1 | 1/1 (100%) | +10.3% |
|
||||
| inhouse | thaumatin | 7 | 7/7 (100%) | +2.7% |
|
||||
| inhouse | twin | 4 | 4/4 (100%) | -19.6% |
|
||||
|
||||
### Distributions (sets that merged, controls left out)
|
||||
|
||||
| arm | metric | n | min | q1 | median | q3 | max |
|
||||
|:--|:--|--:|--:|--:|--:|--:|--:|
|
||||
| open | ISa | 208 | 3.9 | 9.9 | 13.5 | 19.2 | 51.5 |
|
||||
| open | R_meas | 208 | 2.4% | 9.1% | 14.3% | 22.2% | 406.2% |
|
||||
| open | CC1/2 | 208 | 0.927 | 0.995 | 0.998 | 0.999 | 1.000 |
|
||||
| open | res. gain % | 204 | -68.3 | +7.8 | +11.9 | +16.6 | +34.3 |
|
||||
| open | low-res shell R_meas | 208 | 1.6% | 4.1% | 5.5% | 8.2% | 35.9% |
|
||||
| open | R_model, shell-scaled | 201 | 0.096 | 0.180 | 0.208 | 0.247 | 0.580 |
|
||||
| open | R_free (placement, within-run only) | 201 | 0.121 | 0.189 | 0.218 | 0.256 | 0.572 |
|
||||
| open | radial misfit | 201 | 0.02 | 0.09 | 0.12 | 0.16 | 0.66 |
|
||||
| open | R_free ratio | 201 | 0.804 | 0.958 | 1.026 | 1.107 | 3.386 |
|
||||
| open | anomalous map at the scatterers, sigma | 201 | -3.32 | 0.69 | 1.45 | 3.52 | 29.15 |
|
||||
| open | dCC vs depositor, all | 201 | -0.367 | -0.019 | -0.004 | +0.003 | +0.196 |
|
||||
| open | dCC vs depositor, outer 2 shells | 201 | -0.643 | -0.029 | -0.004 | +0.029 | +0.323 |
|
||||
| open | CC(Fc^2) past the deposited limit | 188 | -0.088 | 0.224 | 0.296 | 0.374 | 0.926 |
|
||||
| open | time s | 208 | 2 | 11 | 18 | 29 | 110 |
|
||||
| inhouse | ISa | 44 | 2.3 | 10.9 | 22.9 | 32.8 | 50.9 |
|
||||
| inhouse | R_meas | 45 | 2.7% | 6.3% | 9.5% | 28.5% | 245.2% |
|
||||
| inhouse | CC1/2 | 45 | 0.578 | 0.998 | 0.999 | 1.000 | 1.000 |
|
||||
| inhouse | res. gain % | 43 | -48.8 | +1.8 | +6.2 | +10.9 | +21.5 |
|
||||
| inhouse | ref-range ISa / XDS | 43 | 0.219 | 0.888 | 1.080 | 1.296 | 6.933 |
|
||||
| inhouse | ref-range R_meas / XDS | 43 | 0.220 | 0.838 | 0.931 | 1.046 | 3.643 |
|
||||
| inhouse | low-res shell R_meas | 45 | 2.2% | 3.8% | 4.8% | 8.1% | 44.7% |
|
||||
| inhouse | ref-range low-res R_meas / XDS | 43 | 0.239 | 0.871 | 1.025 | 1.149 | 2.429 |
|
||||
| inhouse | ref-range CC1/2 noise / XDS | 43 | 0.04 | 0.33 | 0.56 | 0.80 | 25.56 |
|
||||
| inhouse | R_model, shell-scaled | 37 | 0.183 | 0.228 | 0.253 | 0.293 | 0.492 |
|
||||
| inhouse | R_free (placement, within-run only) | 37 | 0.175 | 0.237 | 0.287 | 0.334 | 0.523 |
|
||||
| inhouse | radial misfit | 37 | 0.03 | 0.07 | 0.11 | 0.18 | 0.31 |
|
||||
| inhouse | R_free ratio | 37 | 0.940 | 1.224 | 1.530 | 1.858 | 2.401 |
|
||||
| inhouse | anomalous map at the scatterers, sigma | 37 | -0.26 | 1.51 | 3.23 | 6.12 | 11.77 |
|
||||
| inhouse | time s | 45 | 4 | 7 | 9 | 13 | 28 |
|
||||
|
||||
### Per set, against the reference
|
||||
|
||||
_Plot in report.html: open: d_min(rugnux, own cut) / d_min(reference), one point per set, sorted; below 1 = finer than the reference_
|
||||
|
||||
_Plot in report.html: inhouse: d_min(rugnux, own cut) / d_min(reference), one point per set, sorted; below 1 = finer than the reference_
|
||||
|
||||
_Plot in report.html: inhouse: ISa of the reference-range table (the error model refitted on it) / XDS's ISa; above 1 = rugnux's error model is the better one. One point per set, sorted._
|
||||
|
||||
_Plot in report.html: inhouse: R_meas over the reference range / XDS's R_meas; below 1 = rugnux's merge is the more consistent one. One point per set, sorted._
|
||||
|
||||
_Plot in report.html: inhouse: R_meas of the lowest-resolution shell of the reference-range table / of XDS's table; below 1 = rugnux's strong reflections agree better. One point per set, sorted._
|
||||
|
||||
_Plot in report.html: inhouse: half-set noise over the reference range read off CC1/2 (1 / CC1/2 - 1) / XDS's; 2 = as noisy as XDS's merge would be with half its observations (not scored). One point per set, sorted._
|
||||
|
||||
_Plot in report.html: R_free of the deposited model against our merge, as rugnux reports it with --model (a rigid-body placement, scored on rugnux's own free set: a trend number, not a refinement) / the R_free the depositor published, one point per set, sorted; below 1 = lower than published_
|
||||
|
||||
### Against the depositor's data
|
||||
|
||||
Per resolution shell, the rank correlation of our merged intensities with |Fc|^2 minus that of the depositor's own data, on the reflections both carry (d < 4 A, eight shells of equal count), |Fc| from the deposited model as it is (no bulk solvent, no refinement; depdata_check.py). The model was refined against the depositor's data, so zero is already a good result: across a corpus the median sits near -0.01. 'Past the limit' is CC(I, |Fc|^2) of our reflections in the outermost of up to three shells beyond the deposited data's limit, which the model never saw: clearly above zero there is signal. Reported, never scored.
|
||||
|
||||
| set | dep. data | our d_min | dep. d_min | common refl. | dCC all | dCC outer 2 | CC past limit | to d A | REFMAC ratio | ISa | tags |
|
||||
|:--|:--|--:|--:|--:|--:|--:|--:|--:|--:|--:|:--|
|
||||
| 3r6o | F | 1.53 | 1.95 | 16778 | -0.306 | -0.643 | 0.003 | 1.54 | - | 4.2 | smv, tetragonal, home-source |
|
||||
| 2wnq | F | 1.65 | 1.80 | 101895 | -0.145 | -0.550 | 0.077 | 1.65 | - | 10.6 | smv, monoclinic, twin, pseudo-merohedral |
|
||||
| 4bwl | F | 1.68 | 2.00 | 72820 | -0.318 | -0.522 | 0.118 | 1.68 | - | 13.7 | smv, monoclinic, twin, pseudo-merohedral |
|
||||
| 2xfw | F | 1.54 | 1.65 | 147572 | -0.107 | -0.451 | 0.301 | 1.54 | - | 15.3 | smv, monoclinic, twin, pseudo-merohedral |
|
||||
| 9qw8 | I | 1.69 | 1.80 | 37911 | -0.367 | -0.422 | 0.151 | 1.69 | - | 5.2 | h5, triclinic |
|
||||
| 3p85 | F | 1.62 | 1.90 | 24300 | -0.162 | -0.380 | 0.291 | 1.61 | - | 8.6 | smv, hexagonal, home-source |
|
||||
| 2wnn | F | 1.43 | 1.65 | 123464 | -0.056 | -0.348 | 0.211 | 1.43 | - | 15.2 | smv, monoclinic, twin, pseudo-merohedral |
|
||||
| 2wnz | F | 1.83 | 1.85 | 96596 | -0.088 | -0.331 | 0.070 | 1.83 | - | 17.4 | smv, monoclinic, pseudo-symmetry |
|
||||
| 3mc4 | F | 1.75 | 1.95 | 24519 | -0.155 | -0.327 | 0.253 | 1.76 | - | 12.7 | smv, trigonal, home-source |
|
||||
| 9qw2 | F | 1.82 | 1.92 | 43869 | -0.180 | -0.325 | 0.386 | 1.82 | - | 6.4 | cbf, monoclinic, pseudo-symmetry |
|
||||
| 9lxl | I | 2.08 | 2.19 | 18039 | -0.277 | -0.275 | 0.074 | 2.07 | - | 6.2 | h5, tetragonal |
|
||||
| 6yqf | I | 3.15 | 3.33 | 932 | -0.138 | -0.235 | -0.088 | 3.15 | - | 5.4 | cbf, orthorhombic |
|
||||
| 9hnc | F | 1.64 | 1.88 | 404682 | -0.061 | -0.234 | 0.377 | 1.63 | - | 13.6 | cbf, monoclinic |
|
||||
| 6r72 | F | 4.39 | 3.95 | 18987 | -0.092 | -0.231 | - | - | - | 16.6 | h5, monoclinic |
|
||||
| 5ky6 | F | 1.50 | 1.94 | 86175 | -0.129 | -0.212 | 0.169 | 1.50 | - | 6.9 | marccd |
|
||||
| 9rcs | I | 3.28 | 3.01 | 2015 | -0.217 | -0.211 | - | - | - | 7.4 | h5, monoclinic, cdte |
|
||||
| 7bgu | I | 2.32 | 2.43 | 14742 | -0.059 | -0.172 | -0.042 | 2.32 | - | 16.2 | marCCD, triclinic |
|
||||
| 3meb | F | 1.70 | 1.90 | 35118 | -0.044 | -0.133 | 0.221 | 1.71 | - | 13.2 | smv, monoclinic, home-source |
|
||||
| 9rci | F | 1.69 | 1.66 | 39470 | -0.033 | -0.129 | - | - | - | 7.5 | h5, triclinic, tncs |
|
||||
| 8qq7 | I | 3.15 | 3.62 | 5507 | -0.108 | -0.110 | -0.026 | 3.15 | - | 6.0 | cbf, hexagonal |
|
||||
| 8k1g | F | 1.62 | 2.09 | 34025 | -0.079 | -0.109 | 0.275 | 1.62 | - | 11.6 | cbf, tetragonal |
|
||||
| 6ze4 | I | 1.29 | 1.60 | 136771 | -0.104 | -0.107 | 0.288 | 1.30 | - | 10.5 | cbf, orthorhombic |
|
||||
| 5epe | F | 1.75 | 1.90 | 22792 | -0.029 | -0.103 | 0.345 | 1.75 | - | 11.1 | marCCD, cubic |
|
||||
| 6u7g | I | 1.89 | 2.35 | 87246 | -0.055 | -0.102 | 0.234 | 1.89 | - | 13.5 | h5, monoclinic |
|
||||
| 6zqr | F | 1.77 | 1.93 | 37169 | -0.047 | -0.099 | 0.296 | 1.76 | - | 8.9 | smv |
|
||||
| 9pbb | I | 1.80 | 2.16 | 11259 | -0.036 | -0.093 | 0.172 | 1.80 | - | 15.9 | cbf, monoclinic |
|
||||
| 6zqy | F | 1.69 | 1.85 | 47653 | -0.018 | -0.087 | 0.301 | 1.69 | - | 13.0 | smv |
|
||||
| 9hs7 | F | 1.66 | 1.70 | 9595 | -0.143 | -0.084 | 0.050 | 1.66 | - | 11.5 | cbf, hexagonal |
|
||||
| 6z9g | F | 1.62 | 1.74 | 166211 | -0.070 | -0.077 | 0.212 | 1.61 | - | 10.7 | h5, tncs |
|
||||
| 8c3e | I | 1.79 | 2.10 | 4079 | -0.037 | -0.076 | 0.161 | 1.79 | - | 5.9 | cbf, trigonal, home-source, twin |
|
||||
| 7arr | I | 0.92 | 1.10 | 47747 | -0.031 | -0.074 | 0.330 | 0.92 | - | 18.7 | cbf, triclinic |
|
||||
| 6jgh | I | 0.88 | 0.94 | 139811 | -0.012 | -0.067 | 0.352 | 0.88 | - | 6.7 | marccd |
|
||||
| 6qaj | I | 2.78 | 2.63 | 4121 | -0.132 | -0.064 | - | - | - | 12.8 | cbf |
|
||||
| 5f6m | I | 1.09 | 1.10 | 68757 | -0.006 | -0.059 | 0.365 | 1.09 | - | 23.0 | cbf, orthorhombic, diffuse |
|
||||
| 7tcd | I | 1.67 | 1.70 | 27126 | -0.043 | -0.057 | 0.183 | 1.66 | - | 18.0 | h5, monoclinic |
|
||||
| 6z8o | F | 2.16 | 2.20 | 22410 | -0.154 | -0.055 | 0.130 | 2.16 | - | 14.5 | h5, monoclinic |
|
||||
| 5t39 | I | 1.00 | 1.10 | 92595 | -0.009 | -0.054 | 0.410 | 1.00 | - | 16.1 | marccd |
|
||||
| 8dyz | I | 1.14 | 1.27 | 24752 | -0.007 | -0.050 | 0.625 | 1.14 | - | 37.8 | cbf, tetragonal, diffuse |
|
||||
| 9upt | F | 2.03 | 2.37 | 24477 | -0.036 | -0.046 | 0.322 | 2.03 | - | 6.5 | SMV, hexagonal |
|
||||
| 7brr | I | 1.24 | 1.40 | 102801 | -0.024 | -0.044 | 0.265 | 1.24 | - | 16.4 | h5, monoclinic |
|
||||
| 6oww | F | 2.83 | 3.84 | 3373 | +0.035 | -0.043 | 0.079 | 2.83 | - | 12.4 | cbf, monoclinic, pseudo-symmetry |
|
||||
| 9b22 | I | 1.14 | 1.30 | 96597 | -0.013 | -0.040 | 0.444 | 1.14 | - | 16.4 | h5, monoclinic |
|
||||
| 7raa | I | 2.64 | 2.69 | 7522 | -0.068 | -0.038 | 0.160 | 2.64 | - | 10.4 | cbf |
|
||||
| 5lzl | F | 2.89 | 3.47 | 21840 | -0.019 | -0.037 | 0.224 | 2.90 | - | 14.6 | cbf, trigonal |
|
||||
| 9p7q | I | 1.78 | 2.21 | 12159 | -0.028 | -0.034 | 0.283 | 1.77 | - | 10.8 | cbf, monoclinic |
|
||||
| 5reo | F | 1.64 | 1.88 | 18391 | -0.032 | -0.034 | 0.340 | 1.64 | - | 23.0 | cbf, monoclinic |
|
||||
| 6rlr | I | 1.94 | 2.00 | 19974 | +0.002 | -0.034 | 0.245 | 1.94 | - | 16.3 | h5, triclinic, twin |
|
||||
| 9qvv | I | 2.53 | 2.72 | 16358 | -0.013 | -0.034 | 0.148 | 2.53 | - | 38.1 | nxs, orthorhombic, pseudo-symmetry |
|
||||
| 5m17 | I | 0.98 | 1.03 | 185105 | -0.006 | -0.031 | 0.312 | 0.98 | - | 16.1 | cbf, tetragonal |
|
||||
| 6oel | I | 2.85 | 3.10 | 13233 | -0.013 | -0.031 | 0.277 | 2.85 | - | 10.3 | SMV, cubic |
|
||||
| 8y74 | F | 1.69 | 1.90 | 58040 | -0.010 | -0.028 | 0.288 | 1.69 | - | 8.8 | h5, monoclinic |
|
||||
| 9zm0 | I | 1.79 | 2.10 | 13858 | -0.016 | -0.028 | 0.113 | 1.80 | - | 8.9 | h5, monoclinic |
|
||||
| 4nwv | F | 2.94 | 3.26 | 160555 | -0.016 | -0.028 | 0.212 | 2.94 | - | 8.4 | marCCD, orthorhombic, large-cell, virus |
|
||||
| 5vml | F | 1.91 | 1.70 | 14321 | -0.007 | -0.028 | - | - | - | 11.6 | smv, tetragonal, home-source |
|
||||
| 6iu8 | I | 2.34 | 2.70 | 15286 | +0.003 | -0.028 | 0.188 | 2.34 | - | 8.0 | cbf, trigonal |
|
||||
| 9gjx | I | 2.07 | 2.40 | 52052 | -0.002 | -0.024 | 0.260 | 2.07 | - | 39.2 | h5, monoclinic |
|
||||
| 9zlo | I | 1.56 | 2.00 | 22408 | -0.008 | -0.024 | 0.243 | 1.57 | - | 23.5 | h5, orthorhombic |
|
||||
| 9q66 | F | 2.07 | 2.01 | 87802 | -0.019 | -0.024 | - | - | - | 13.0 | h5, monoclinic |
|
||||
| 7n2s | I | 2.56 | 2.37 | 10820 | -0.012 | -0.024 | - | - | - | 14.5 | cbf, monoclinic |
|
||||
| 6iu9 | I | 2.76 | 3.00 | 9191 | +0.000 | -0.024 | 0.196 | 2.76 | - | 5.5 | cbf, trigonal, twin |
|
||||
| 9min | I | 1.95 | 2.05 | 79563 | -0.009 | -0.023 | 0.241 | 1.96 | - | 10.1 | cbf, orthorhombic |
|
||||
| 8r5r | F | 2.79 | 3.08 | 12960 | -0.032 | -0.023 | 0.231 | 2.79 | - | 18.9 | h5, orthorhombic |
|
||||
| 9h0q | I | 2.11 | 2.55 | 45699 | -0.006 | -0.022 | 0.332 | 2.12 | - | 18.2 | h5 |
|
||||
| 9fhc | F | 1.89 | 2.20 | 76515 | -0.002 | -0.021 | 0.348 | 1.90 | - | 11.9 | marCCD, cubic |
|
||||
| 9ih9 | F | 1.40 | 1.70 | 78422 | -0.004 | -0.020 | 0.377 | 1.40 | - | 12.7 | h5, monoclinic |
|
||||
| 9c18 | I | 1.74 | 1.90 | 25041 | -0.001 | -0.019 | 0.260 | 1.74 | - | 10.5 | h5, triclinic |
|
||||
| 9crw | I | 2.28 | 2.49 | 53875 | -0.023 | -0.019 | 0.120 | 2.29 | - | 15.4 | h5, monoclinic |
|
||||
| 9yl4 | I | 3.61 | 3.70 | 1130 | -0.009 | -0.019 | 0.181 | 3.61 | - | 9.8 | cbf, orthorhombic |
|
||||
| 7mzt | I | 3.18 | 4.05 | 8490 | -0.075 | -0.019 | 0.080 | 3.17 | - | 3.9 | cbf, orthorhombic |
|
||||
| 4p8r | F | 2.02 | 2.20 | 66661 | -0.004 | -0.018 | 0.396 | 2.02 | - | 7.2 | marCCD, hexagonal, large-cell, long-axis |
|
||||
| 6iu6 | I | 2.35 | 2.90 | 10758 | +0.002 | -0.018 | 0.250 | 2.35 | - | 7.1 | cbf, trigonal, twin |
|
||||
| 6iu5 | I | 2.12 | 2.25 | 30820 | -0.010 | -0.018 | 0.234 | 2.12 | - | 8.0 | cbf, trigonal, twin |
|
||||
| 6fid | F | 1.98 | 2.20 | 10528 | -0.005 | -0.018 | 0.820 | 1.97 | - | 13.5 | cbf, orthorhombic |
|
||||
| 6cdl | I | 1.13 | 1.24 | 56393 | -0.004 | -0.017 | 0.609 | 1.12 | - | 10.0 | marccd |
|
||||
| 6w75 | F | 1.69 | 1.95 | 99979 | -0.010 | -0.017 | 0.323 | 1.69 | - | 15.9 | marccd |
|
||||
| 8xtf | I | 1.84 | 2.13 | 27230 | -0.003 | -0.016 | 0.413 | 1.83 | - | 7.7 | h5, trigonal |
|
||||
| 9e2t | I | 2.35 | 2.28 | 31869 | -0.106 | -0.016 | - | - | - | 6.6 | cbf, triclinic |
|
||||
| 9gdj | I | 1.39 | 1.47 | 157444 | -0.007 | -0.016 | 0.296 | 1.39 | - | 12.9 | h5, tetragonal, cdte |
|
||||
| 5uth | F | 1.72 | 1.95 | 27656 | -0.004 | -0.015 | 0.424 | 1.73 | - | 10.1 | smv, trigonal, home-source |
|
||||
| 6h5t | F | 1.45 | 1.69 | 28184 | -0.006 | -0.014 | 0.348 | 1.46 | - | 9.3 | marCCD, tetragonal |
|
||||
| 6p8p | I | 1.45 | 1.64 | 64791 | -0.013 | -0.013 | 0.299 | 1.45 | - | 16.0 | cbf, tetragonal |
|
||||
| 5mln | F | 1.27 | 1.59 | 60800 | -0.012 | -0.012 | 0.393 | 1.27 | - | 21.0 | cbf |
|
||||
| 6w4h | F | 1.62 | 1.80 | 70331 | -0.003 | -0.012 | 0.411 | 1.62 | - | 18.5 | marCCD, trigonal |
|
||||
| 7kcn | I | 1.39 | 1.46 | 43289 | -0.009 | -0.012 | 0.569 | 1.39 | - | 11.8 | cbf, tetragonal |
|
||||
| 7q6j | I | 2.00 | 2.20 | 41719 | +0.006 | -0.010 | 0.234 | 2.00 | - | 10.0 | cbf, orthorhombic, pseudo-symmetry |
|
||||
| 6rym | I | 1.45 | 1.46 | 17018 | -0.005 | -0.009 | - | - | - | 22.8 | smv, tetragonal |
|
||||
| 8dz7 | I | 1.19 | 1.34 | 13603 | -0.002 | -0.008 | 0.809 | 1.19 | - | 35.1 | cbf, orthorhombic, diffuse |
|
||||
| 9chw | I | 1.60 | 2.16 | 20358 | -0.005 | -0.008 | 0.652 | 1.60 | - | 21.2 | marCCD, hexagonal |
|
||||
| 9jq9 | I | 1.65 | 1.90 | 13865 | +0.002 | -0.008 | 0.504 | 1.65 | - | 19.2 | cbf, orthorhombic, home-source |
|
||||
| 7l84 | I | 1.70 | 1.71 | 11375 | -0.001 | -0.007 | - | - | - | 11.3 | cbf, tetragonal |
|
||||
| 7bgt | I | 1.79 | 1.93 | 33463 | -0.003 | -0.007 | 0.319 | 1.80 | - | 16.9 | marCCD, triclinic |
|
||||
| 6wzo | I | 1.04 | 1.42 | 91591 | -0.012 | -0.007 | 0.341 | 1.04 | - | 16.9 | cbf, triclinic |
|
||||
| 7os3 | I | 1.96 | 2.18 | 32896 | +0.010 | -0.006 | 0.419 | 1.95 | - | 23.8 | cbf, orthorhombic |
|
||||
| 6gvk | I | 1.42 | 1.55 | 32916 | +0.001 | -0.006 | 0.208 | 1.42 | - | 19.5 | cbf, monoclinic |
|
||||
| 6i3j | I | 2.33 | 2.59 | 34974 | -0.011 | -0.005 | 0.348 | 2.33 | - | 7.8 | marCCD, orthorhombic |
|
||||
| 6s1u | I | 1.76 | 1.90 | 17747 | +0.000 | -0.005 | 0.346 | 1.76 | - | 13.4 | marccd |
|
||||
| 8agq | I | 0.97 | 1.09 | 98573 | -0.013 | -0.005 | 0.309 | 0.97 | - | 14.1 | cbf, monoclinic |
|
||||
| 6fvz | F | 1.48 | 1.80 | 105993 | -0.016 | -0.005 | 0.391 | 1.48 | - | 20.8 | cbf, orthorhombic |
|
||||
| 7atg | I | 0.60 | 0.60 | 54330 | -0.002 | -0.005 | - | - | - | 23.1 | cbf, orthorhombic |
|
||||
| 8a1a | F | 1.91 | 2.05 | 101603 | -0.006 | -0.005 | 0.357 | 1.91 | - | 19.2 | h5, hexagonal |
|
||||
| 6hv2 | F | 1.40 | 1.71 | 19192 | -0.031 | -0.004 | 0.098 | 1.40 | - | 14.6 | h5, hexagonal |
|
||||
| 6o2h | I | 1.10 | 1.21 | 11612 | -0.002 | -0.003 | 0.926 | 1.10 | - | 23.9 | cbf, triclinic, diffuse |
|
||||
| 5ojv | I | 1.85 | 2.06 | 63718 | -0.023 | -0.003 | 0.283 | 1.85 | - | 12.6 | cbf, orthorhombic, pseudo-symmetry |
|
||||
| 6pxb | I | 1.41 | 1.75 | 50825 | +0.010 | -0.001 | 0.108 | 1.41 | - | 12.0 | cbf, trigonal |
|
||||
| 7l6j | F | 1.50 | 1.78 | 37485 | -0.002 | -0.001 | 0.415 | 1.50 | - | 10.5 | marCCD, cubic |
|
||||
| 6cee | I | 1.38 | 1.55 | 14202 | -0.001 | +0.001 | 0.683 | 1.38 | - | 24.1 | smv, orthorhombic, home-source |
|
||||
| 9i80 | I | 1.59 | 1.95 | 68449 | -0.010 | +0.001 | 0.343 | 1.59 | - | 6.8 | h5, tetragonal, twin |
|
||||
| 3ky7 | F | 1.92 | 2.35 | 11401 | +0.002 | +0.002 | 0.184 | 1.92 | - | 12.2 | marCCD, cubic |
|
||||
| 9sl0 | I | 1.37 | 1.60 | 67358 | +0.002 | +0.003 | 0.246 | 1.37 | - | 20.0 | h5, orthorhombic |
|
||||
| 3inp | I | 1.70 | 2.05 | 26251 | -0.005 | +0.003 | 0.290 | 1.70 | - | 13.2 | marCCD, cubic |
|
||||
| 6nen | I | 1.77 | 2.15 | 10259 | +0.003 | +0.003 | 0.325 | 1.77 | - | 6.1 | smv |
|
||||
| 8iya | F | 1.90 | 2.43 | 16262 | -0.004 | +0.004 | 0.218 | 1.90 | - | 5.8 | h5, monoclinic |
|
||||
| 8tyy | I | 1.27 | 1.68 | 44789 | +0.000 | +0.004 | 0.472 | 1.27 | - | 16.1 | cbf, cubic |
|
||||
| 6vww | F | 1.99 | 2.20 | 58979 | -0.003 | +0.004 | 0.346 | 1.98 | - | 8.0 | cbf, hexagonal, twin |
|
||||
| 9mh4 | I | 2.78 | 3.05 | 9490 | +0.006 | +0.006 | 0.211 | 2.79 | - | 13.8 | h5, cubic |
|
||||
| 7d98 | I | 3.31 | 3.60 | 6283 | +0.006 | +0.006 | 0.243 | 3.30 | - | 15.5 | cbf, hexagonal, large-cell, long-axis, long-wavelength |
|
||||
| 7ris | I | 1.51 | 1.72 | 22161 | +0.003 | +0.006 | 0.222 | 1.51 | - | 30.9 | h5, trigonal |
|
||||
| 8dqb | I | 2.04 | 2.50 | 19165 | -0.002 | +0.006 | 0.374 | 2.04 | - | 22.1 | h5, cubic |
|
||||
| 9vyb | I | 1.67 | 2.12 | 5191 | -0.010 | +0.008 | 0.355 | 1.68 | - | 22.2 | h5, orthorhombic |
|
||||
| 7pq7 | F | 1.39 | 1.55 | 51887 | -0.007 | +0.009 | 0.140 | 1.39 | - | 13.6 | cbf, monoclinic |
|
||||
| 6v2r | I | 1.38 | 1.57 | 9330 | +0.000 | +0.009 | 0.482 | 1.38 | - | 24.6 | smv, tetragonal, home-source |
|
||||
| 8v4j | I | 1.10 | 1.30 | 41379 | +0.001 | +0.009 | 0.579 | 1.10 | - | 21.8 | smv, tetragonal |
|
||||
| 6cs9 | I | 1.71 | 1.85 | 5090 | -0.000 | +0.010 | 0.277 | 1.71 | - | 12.9 | smv, monoclinic |
|
||||
| 6zr0 | F | 1.64 | 1.94 | 40650 | -0.006 | +0.011 | 0.356 | 1.64 | - | 25.2 | cbf |
|
||||
| 9zmu | I | 1.72 | 1.98 | 21684 | -0.001 | +0.011 | 0.218 | 1.72 | - | 11.3 | h5, hexagonal |
|
||||
| 6f3p | F | 1.15 | 1.35 | 235840 | -0.002 | +0.013 | 0.459 | 1.15 | - | 9.3 | marccd |
|
||||
| 6g1f | I | 1.98 | 2.25 | 131737 | -0.001 | +0.013 | 0.289 | 1.98 | - | 20.8 | cbf |
|
||||
| 8egn | F | 1.63 | 1.95 | 38629 | -0.010 | +0.013 | 0.277 | 1.62 | - | 21.7 | cbf, orthorhombic |
|
||||
| 36gk | F | 2.10 | 2.28 | 84276 | -0.013 | +0.015 | 0.302 | 2.10 | - | 11.6 | h5, orthorhombic |
|
||||
| 7dkp | F | 1.20 | 1.45 | 131353 | +0.003 | +0.016 | 0.613 | 1.20 | - | 26.5 | h5, monoclinic |
|
||||
| 8sqq | I | 1.90 | 2.25 | 8697 | +0.006 | +0.016 | 0.329 | 1.90 | - | 17.8 | h5, cubic |
|
||||
| 9ig7 | F | 2.02 | 2.60 | 26626 | -0.006 | +0.017 | 0.255 | 2.02 | - | 11.0 | cbf, orthorhombic |
|
||||
| 6fwc | F | 1.41 | 1.70 | 126460 | -0.001 | +0.018 | 0.394 | 1.41 | - | 27.3 | cbf, orthorhombic |
|
||||
| 8qaw | F | 1.30 | 1.55 | 256134 | +0.001 | +0.018 | 0.354 | 1.30 | - | 10.8 | cbf, trigonal, long-axis |
|
||||
| 9bn8 | I | 1.19 | 1.35 | 119114 | -0.001 | +0.019 | 0.462 | 1.19 | - | 19.8 | h5, tetragonal |
|
||||
| 4mtk | F | 2.87 | 3.32 | 65045 | +0.009 | +0.019 | 0.243 | 2.87 | - | 15.6 | cbf, hexagonal, large-cell, long-axis |
|
||||
| 11if | I | 1.36 | 1.51 | 27273 | -0.004 | +0.020 | 0.271 | 1.36 | - | 26.1 | h5, tetragonal |
|
||||
| 7yzx | F | 1.87 | 1.90 | 83105 | -0.029 | +0.021 | 0.288 | 1.87 | - | 10.5 | cbf, hexagonal |
|
||||
| 8qj5 | I | 1.43 | 1.63 | 101762 | +0.003 | +0.021 | 0.382 | 1.43 | - | 8.3 | cbf, monoclinic |
|
||||
| 5jk4 | I | 0.96 | 1.01 | 134620 | -0.002 | +0.022 | 0.366 | 0.96 | - | 14.5 | smv, monoclinic |
|
||||
| 9jzo | F | 1.15 | 1.40 | 47877 | +0.001 | +0.022 | 0.774 | 1.15 | - | 8.3 | cbf, triclinic |
|
||||
| 5ebi | F | 0.86 | 1.09 | 39168 | +0.009 | +0.023 | 0.212 | 0.86 | - | 10.9 | marCCD, monoclinic, twin |
|
||||
| 8u0i | I | 1.38 | 1.54 | 16737 | +0.007 | +0.023 | 0.337 | 1.38 | - | 16.4 | cbf, tetragonal |
|
||||
| 7t5t | I | 1.24 | 1.35 | 101432 | -0.002 | +0.024 | 0.249 | 1.24 | - | 16.5 | cbf, tetragonal |
|
||||
| 9fcf | F | 1.78 | 2.36 | 9897 | -0.018 | +0.025 | 0.179 | 1.77 | - | 7.1 | cbf |
|
||||
| 8v2t | I | 1.15 | 1.40 | 33174 | +0.005 | +0.025 | 0.416 | 1.15 | - | 12.3 | cbf, tetragonal |
|
||||
| 8s38 | F | 1.64 | 1.89 | 121216 | -0.004 | +0.025 | 0.364 | 1.64 | - | 22.5 | cbf, orthorhombic |
|
||||
| 8sqt | I | 1.83 | 2.20 | 9296 | -0.002 | +0.026 | 0.307 | 1.83 | - | 24.1 | h5, cubic |
|
||||
| 6moj | I | 2.43 | 2.43 | 13971 | -0.050 | +0.026 | - | - | - | 8.4 | cbf, tetragonal |
|
||||
| 6h2p_1p89A | F | 1.76 | 1.88 | 85463 | +0.003 | +0.026 | 0.516 | 1.76 | - | 22.6 | cbf, orthorhombic, long-wavelength, two-wavelength |
|
||||
| 6pxc | F | 1.43 | 1.60 | 15636 | +0.008 | +0.028 | 0.317 | 1.43 | - | 10.5 | cbf, orthorhombic |
|
||||
| 8sqo | I | 1.31 | 1.55 | 33951 | +0.001 | +0.031 | 0.374 | 1.32 | - | 13.9 | h5, cubic |
|
||||
| 5nw5 | I | 7.04 | 6.50 | 9932 | -0.041 | +0.031 | - | - | - | 8.4 | cbf, orthorhombic, low-resolution |
|
||||
| 6jgj | F | 0.65 | 0.77 | 250563 | -0.049 | +0.032 | 0.377 | 0.65 | - | 15.1 | cbf, orthorhombic, cdte |
|
||||
| 9z72 | I | 2.00 | 2.38 | 28228 | +0.008 | +0.032 | 0.275 | 2.00 | - | 14.9 | cbf, trigonal, long-axis |
|
||||
| 8t7r | I | 3.30 | 3.84 | 13697 | +0.026 | +0.032 | 0.290 | 3.30 | - | 10.2 | cbf, monoclinic |
|
||||
| 5src | I | 0.97 | 1.05 | 138681 | +0.013 | +0.033 | 0.241 | 0.97 | - | 19.4 | cbf, tetragonal |
|
||||
| 6ukf | I | 0.95 | 1.00 | 143255 | +0.004 | +0.036 | 0.318 | 0.95 | - | 9.9 | cbf, monoclinic |
|
||||
| 8xtg | I | 1.55 | 2.00 | 177630 | -0.004 | +0.037 | 0.291 | 1.55 | - | 7.6 | cbf, trigonal |
|
||||
| 9khr | I | 1.40 | 2.00 | 11649 | +0.005 | +0.037 | 0.311 | 1.40 | - | 9.1 | marCCD, orthorhombic |
|
||||
| 8pqd | F | 1.31 | 1.50 | 102730 | +0.003 | +0.038 | 0.255 | 1.31 | - | 14.6 | h5, orthorhombic |
|
||||
| 9s02 | F | 1.43 | 1.65 | 187371 | -0.009 | +0.038 | 0.244 | 1.43 | - | 25.6 | h5, orthorhombic |
|
||||
| 8xte | I | 1.64 | 1.99 | 195244 | +0.004 | +0.039 | 0.306 | 1.64 | - | 12.4 | cbf, trigonal |
|
||||
| 9o0h | I | 2.01 | 2.24 | 15449 | +0.028 | +0.040 | 0.284 | 2.02 | - | 5.4 | cbf, orthorhombic |
|
||||
| 5cc8 | F | 1.53 | 2.00 | 28181 | +0.044 | +0.041 | 0.434 | 1.53 | - | 11.2 | smv, orthorhombic, home-source, tncs |
|
||||
| 9ea5 | I | 1.66 | 2.00 | 51522 | +0.009 | +0.041 | 0.321 | 1.66 | - | 26.7 | cbf, monoclinic |
|
||||
| 9w3y | I | 1.22 | 1.50 | 61343 | +0.006 | +0.042 | 0.446 | 1.21 | - | 18.6 | h5, orthorhombic |
|
||||
| 7ph1 | F | 1.09 | 1.18 | 120936 | -0.008 | +0.042 | 0.370 | 1.09 | - | 16.1 | cbf, orthorhombic |
|
||||
| 6h2p_native | F | 1.32 | 1.48 | 188245 | -0.005 | +0.042 | 0.296 | 1.32 | - | 19.8 | cbf, orthorhombic, two-wavelength |
|
||||
| 8tha | I | 1.34 | 1.68 | 8018 | +0.001 | +0.042 | 0.343 | 1.34 | - | 26.4 | cbf, hexagonal |
|
||||
| 9yzk | I | 3.87 | 4.50 | 13486 | +0.003 | +0.043 | 0.017 | 3.87 | - | 8.8 | cbf, monoclinic |
|
||||
| 8sa8 | I | 1.11 | 1.30 | 409825 | +0.007 | +0.045 | 0.482 | 1.11 | - | 21.7 | h5, monoclinic |
|
||||
| 9gqg | I | 1.82 | 2.00 | 15522 | +0.008 | +0.045 | 0.254 | 1.82 | - | 11.9 | h5, trigonal |
|
||||
| 8owm | F | 1.50 | 1.70 | 293905 | +0.003 | +0.046 | 0.414 | 1.50 | - | 21.1 | cbf, triclinic |
|
||||
| 6pb3 | I | 1.84 | 2.05 | 15266 | -0.003 | +0.046 | 0.242 | 1.84 | - | 24.8 | cbf, hexagonal |
|
||||
| 8rud | I | 1.65 | 2.10 | 77721 | +0.002 | +0.048 | 0.360 | 1.66 | - | 12.4 | cbf, monoclinic |
|
||||
| 9rp9 | I | 1.96 | 2.10 | 19430 | +0.020 | +0.052 | 0.384 | 1.96 | - | 28.6 | h5, monoclinic |
|
||||
| 6hwj | I | 1.70 | 1.98 | 52133 | +0.003 | +0.052 | 0.360 | 1.70 | - | 39.0 | cbf, monoclinic |
|
||||
| 8v4o | I | 2.12 | 2.70 | 59576 | +0.011 | +0.053 | 0.268 | 2.12 | - | 15.4 | h5, hexagonal |
|
||||
| 9q41 | I | 1.68 | 1.95 | 42194 | -0.004 | +0.053 | 0.403 | 1.67 | - | 7.5 | h5, orthorhombic |
|
||||
| 7orr | I | 1.64 | 1.79 | 16877 | -0.002 | +0.053 | 0.391 | 1.64 | - | 25.4 | h5, cubic |
|
||||
| 8oic | I | 2.34 | 2.51 | 78746 | -0.021 | +0.054 | 0.245 | 2.34 | - | 19.3 | h5, triclinic |
|
||||
| 6p8j | I | 1.35 | 1.47 | 191229 | -0.008 | +0.056 | 0.361 | 1.35 | - | 9.2 | cbf, monoclinic, pseudo-symmetry |
|
||||
| 7qis | F | 1.76 | 1.83 | 93162 | +0.014 | +0.056 | 0.271 | 1.76 | - | 17.2 | cbf, hexagonal |
|
||||
| 7n0i | I | 1.64 | 1.80 | 117514 | +0.017 | +0.057 | 0.132 | 1.64 | - | 10.5 | cbf, orthorhombic, tncs |
|
||||
| 9z44 | I | 6.78 | 7.20 | 1894 | +0.008 | +0.059 | 0.068 | 6.87 | - | 9.5 | cbf, monoclinic |
|
||||
| 9fcg | F | 1.38 | 1.54 | 37967 | +0.001 | +0.062 | 0.461 | 1.38 | - | 9.5 | cbf, tetragonal |
|
||||
| 7qij | I | 3.62 | 4.10 | 135378 | +0.032 | +0.066 | 0.097 | 3.62 | - | 9.2 | cbf, orthorhombic |
|
||||
| 6jgi | I | 0.75 | 0.85 | 187106 | +0.003 | +0.068 | 0.416 | 0.75 | - | 8.4 | marCCD, orthorhombic |
|
||||
| 9v16 | I | 2.91 | 3.45 | 35361 | +0.065 | +0.082 | 0.152 | 2.91 | - | 15.2 | h5, tetragonal, large-cell, long-axis |
|
||||
| 7rji | I | 1.47 | 1.71 | 16699 | +0.003 | +0.084 | 0.343 | 1.47 | - | 7.8 | cbf, trigonal |
|
||||
| 7ou1 | F | 1.39 | 1.65 | 176428 | +0.008 | +0.085 | 0.389 | 1.39 | - | 9.0 | marccd |
|
||||
| 5jvn | I | 2.23 | 2.90 | 21045 | +0.028 | +0.086 | 0.226 | 2.24 | - | 14.9 | cbf, hexagonal |
|
||||
| 9t6s | I | 1.75 | 2.00 | 25145 | +0.015 | +0.086 | 0.224 | 1.75 | - | 28.4 | h5, orthorhombic, tncs |
|
||||
| 6ttn | I | 1.05 | 1.12 | 126145 | +0.021 | +0.092 | 0.288 | 1.05 | - | 14.5 | cbf, orthorhombic |
|
||||
| 7k1l | F | 1.91 | 2.25 | 54383 | +0.012 | +0.094 | 0.337 | 1.91 | - | 9.9 | cbf, hexagonal |
|
||||
| 8ys9 | I | 1.31 | 1.46 | 75646 | +0.007 | +0.096 | 0.375 | 1.31 | - | 15.3 | h5, orthorhombic |
|
||||
| 6toc | I | 1.65 | 1.85 | 6080 | +0.013 | +0.136 | 0.357 | 1.65 | - | 25.1 | cbf, tetragonal, twin |
|
||||
| 9i0a | F | 1.80 | 2.22 | 60317 | +0.006 | +0.143 | 0.193 | 1.79 | - | 11.5 | h5, orthorhombic |
|
||||
| 8xbp | F | 1.68 | 2.00 | 24156 | +0.015 | +0.235 | 0.105 | 1.68 | - | 18.8 | h5, monoclinic |
|
||||
| 5j23 | F | 2.20 | 2.30 | 56769 | +0.196 | +0.323 | 0.419 | 2.20 | - | 11.5 | marCCD, trigonal, twin |
|
||||
|
||||
### Like for like with XDS: the reference-range table
|
||||
|
||||
The same merge, binned a second time over XDS's range (--report-resolution; report-only, nothing was processed differently for it), against XDS's CORRECT.LP totals. Where rugnux's own cut is coarser than the reference ('coverage' in the last column), the shells past it are not merged at all: the completeness there is coverage of XDS's range, not a quality loss, and the other rugnux numbers are over the shells it reached. XDS's totals are over its own merged range, which is the reference range except where the reference d_min was derived (see below).
|
||||
|
||||
| set | arm | range A | own d_min | compl % (rugnux / XDS) | mult | I/sigma | R_meas | low-res R_meas (to d A) | CC1/2 | CC1/2 noise ratio | ISa | reading |
|
||||
|:--|:--|:--|--:|:--|:--|--:|:--|:--|:--|--:|:--|:--|
|
||||
| aspirin_x10sa_20keV | inhouse | 50.000 0.680 | 0.66 | 85.2 / 84.0 | 6.0 / 3.1 | 43.0 | 3.0% / 3.3% | 2.3% / 3.3% (2.04 / 2.01) | 0.9996 / 0.999 | 0.27 | 35.5 / 27.4 | like for like |
|
||||
| aspirin_x10sa_25keV | inhouse | 50.000 0.550 | 0.53 | 87.6 / 86.6 | 6.0 / 3.1 | 34.9 | 3.1% / 3.4% | 2.2% / 3.2% (1.65 / 1.63) | 0.9996 / 0.999 | 0.27 | 34.2 / 29.2 | like for like |
|
||||
| citricacid_x10sa_20keV | inhouse | 50.000 0.680 | 0.67 | 82.7 / 82.0 | 5.1 / 3.1 | 43.0 | 4.1% / 4.1% | 5.0% / 5.0% (2.04 / 2.02) | 0.9973 / 0.997 | 0.77 | 23.1 / 20.4 | like for like |
|
||||
| cytc_x06da_1 | inhouse | 50.000 1.875 | 1.71 | 100.0 / 99.9 | 10.5 / 7.7 | 14.8 | 8.4% / 8.4% | 3.8% / 3.3% (5.59 / 5.58) | 0.9996 / 0.999 | 0.27 | 17.9 / 24.5 | like for like |
|
||||
| cytc_x06da_2 | inhouse | 50.000 1.690 | 1.57 | 100.0 / 99.9 | 10.2 / 7.8 | 13.4 | 8.9% / 9.7% | 3.4% / 3.2% (5.05 / 5.03) | 0.9996 / 0.999 | 0.27 | 23.3 / 27.0 | like for like |
|
||||
| cytc_x10sa | inhouse | 50.000 2.039 | 1.95 | 99.9 / 99.8 | 10.6 / 10.7 | 9.5 | 17.9% / 23.2% | 3.9% / 3.6% (6.08 / 6.05) | 0.9991 / 0.999 | 0.60 | 26.8 / 31.8 | like for like |
|
||||
| hepes_x10sa_20keV | inhouse | 50.000 0.680 | 0.66 | 93.0 / 91.8 | 10.4 / 5.7 | 78.1 | 2.7% / 3.1% | 3.7% / 3.7% (2.04 / 2.00) | 0.9994 / 0.999 | 0.40 | 37.0 / 28.5 | like for like |
|
||||
| insu_H_x06da_notwin | inhouse | 50.000 1.544 | 1.41 | 98.7 / 97.4 | 4.8 / 3.5 | 15.5 | 6.0% / 6.8% | 4.3% / 4.5% (4.61 / 4.61) | 0.9988 / 0.998 | 0.48 | 20.6 / 17.7 | like for like |
|
||||
| insu_H_x06da_twin | inhouse | 50.000 1.455 | 1.38 | 96.8 / 95.0 | 4.5 / 3.6 | 8.0 | 12.8% / 11.8% | 10.9% / 10.6% (4.35 / 4.34) | 0.9865 / 0.988 | 1.08 | 6.2 / 6.8 | like for like |
|
||||
| insu_I_x06da_13keV | inhouse | 50.000 1.635 | 1.46 | 100.0 / 100.0 | 20.2 / 17.2 | 9.6 | 27.2% / 27.9% | 8.1% / 9.3% (4.88 / 4.85) | 0.9983 / 0.998 | 0.68 | 30.1 / 18.8 | like for like |
|
||||
| insu_I_x06da_5keV | inhouse | 50.000 2.450 | 2.43 | 95.7 / 91.7 | 15.4 / 11.2 | 33.9 | 6.2% / 7.3% | 4.4% / 4.8% (7.28 / 7.21) | 0.9994 / 0.999 | 0.40 | 27.9 / 17.5 | like for like |
|
||||
| insu_I_x06da_5keV_2 | inhouse | 50.000 2.450 | 2.43 | 96.3 / 91.8 | 15.9 / 12.7 | 29.3 | 7.4% / 7.6% | 5.1% / 4.8% (7.28 / 7.21) | 0.9994 / 0.999 | 0.40 | 32.1 / 20.0 | like for like |
|
||||
| insu_I_x06da_6keV | inhouse | 50.000 2.040 | 2.02 | 94.9 / 92.4 | 15.5 / 12.4 | 34.5 | 5.9% / 6.5% | 4.8% / 4.7% (6.08 / 6.03) | 0.9995 / 0.999 | 0.33 | 20.6 / 17.9 | like for like |
|
||||
| insu_I_x06da_low_isa | inhouse | 50.000 1.300 | 1.47 | 66.2 / 90.8 | 10.8 / 13.3 | 11.7 | 12.7% / 22.0% | 4.0% / 16.7% (3.89 / 3.92) | 0.9992 / 0.998 | 0.32 | 28.8 / 4.2 | coverage: own cut 1.47 A is coarser than the reference, 1 shell(s) not merged |
|
||||
| insu_I_x06da_ref | inhouse | 50.000 1.621 | 1.41 | 100.0 / 100.0 | 16.4 / 13.8 | 17.3 | 29.2% / 34.9% | 6.6% / 14.3% (4.84 / 4.82) | 0.9993 / 0.998 | 0.28 | 33.7 / 25.1 | like for like |
|
||||
| insu_I_x06da_weak | inhouse | 999.000 1.080 | 1.64 | 29.2 / 92.4 | 40.1 / 29.0 | 15.4 | 17.1% / 40.1% | 6.3% / 5.4% (3.24 / 3.22) | 0.9997 / 0.999 | 0.20 | 14.7 / 18.9 | coverage: own cut 1.64 A is coarser than the reference, 5 shell(s) not merged |
|
||||
| kdp_x10sa_20keV | inhouse | 50.000 0.740 | 0.66 | 100.0 / 99.2 | 10.3 / 6.1 | 44.8 | 5.3% / 24.1% | 4.8% / 17.2% (2.22 / 2.06) | 0.9987 / 0.969 | 0.04 | 24.9 / 4.1 | like for like |
|
||||
| lysoI_micromax_mono | inhouse | 50.000 1.650 | 1.37 | 100.0 / 100.0 | 6.5 / 6.8 | 21.7 | 5.8% / 6.8% | 3.0% / 2.8% (4.93 / 4.99) | 0.9994 / 0.999 | 0.40 | 38.4 / 31.4 | like for like |
|
||||
| lysoI_micromax_pink | inhouse | 50.000 1.650 | 1.39 | 100.0 / 100.0 | 6.5 / 6.8 | 20.2 | 6.6% / 7.9% | 3.2% / 2.8% (4.93 / 4.99) | 0.9993 / 0.999 | 0.47 | 36.5 / 29.2 | like for like |
|
||||
| lyso_micromax_mono | inhouse | 50.000 1.500 | 1.18 | 100.0 / 100.0 | 6.0 / 6.2 | 24.9 | 4.7% / 4.7% | 2.5% / 2.3% (4.48 / 4.54) | 0.9996 / 1.000 | 0.80 | 42.1 / 39.9 | like for like |
|
||||
| lyso_micromax_pink | inhouse | 50.000 1.450 | 1.20 | 99.9 / 99.9 | 5.8 / 6.0 | 21.9 | 4.9% / 5.1% | 2.4% / 2.2% (4.34 / 4.39) | 0.9995 / 1.000 | 1.00 | 42.1 / 37.4 | like for like |
|
||||
| lyso_x06da_5keV | inhouse | 50.000 2.450 | 2.44 | 88.0 / 86.4 | 11.1 / 8.8 | 34.2 | 5.7% / 6.4% | 5.4% / 4.7% (7.28 / 7.22) | 0.9991 / 0.998 | 0.36 | 26.9 / 19.4 | like for like |
|
||||
| lyso_x06da_atten_wedge | inhouse | 50.000 1.264 | 1.20 | 100.0 / 99.9 | 12.6 / 11.0 | 8.6 | 35.6% / 23.9% | 6.7% / 6.9% (3.78 / 3.76) | 0.9978 / 0.998 | 0.88 | 13.4 / 16.6 | like for like |
|
||||
| lyso_x06da_half_image | inhouse | 50.000 1.650 | 1.57 | 100.0 / 99.6 | 6.6 / 5.3 | 3.3 | 216.8% / 59.5% | 34.3% / 25.8% (4.93 / 4.91) | 0.8520 / 0.958 | 3.91 | 4.5 / 6.6 | like for like |
|
||||
| lyso_x06da_ice | inhouse | 50.000 1.431 | 1.33 | 100.0 / 100.0 | 10.5 / 11.9 | 9.3 | 16.6% / 21.9% | 4.7% / 5.5% (4.28 / 4.26) | 0.9986 / 0.998 | 0.56 | 23.3 / 23.3 | like for like |
|
||||
| lyso_x06da_ref | inhouse | 50.000 1.200 | 0.99 | 100.0 / 100.0 | 13.8 / 13.8 | 36.3 | 4.3% / 4.5% | 2.6% / 2.9% (3.59 / 3.58) | 0.9998 / 1.000 | 0.40 | 30.6 / 28.3 | like for like |
|
||||
| lyso_x10sa_90deg_1 | inhouse | 50.000 1.966 | 1.82 | 100.0 / 99.3 | 3.5 / 3.5 | 6.9 | 15.2% / 18.2% | 4.5% / 4.9% (5.86 / 5.83) | 0.9956 / 0.995 | 0.80 | 20.7 / 20.8 | like for like |
|
||||
| lyso_x10sa_90deg_2 | inhouse | 50.000 1.973 | 1.85 | 100.0 / 99.3 | 3.5 / 3.5 | 6.8 | 15.1% / 18.0% | 4.6% / 5.1% (5.88 / 5.86) | 0.9956 / 0.994 | 0.68 | 19.5 / 18.1 | like for like |
|
||||
| lyso_x10sa_strong | inhouse | 999.000 1.180 | 1.36 | 66.2 / 65.8 | 21.4 / 11.5 | 9.6 | 23.7% / 11.2% | 11.8% / 7.7% (3.54 / 3.52) | 0.9951 / 0.998 | 1.97 | 5.5 / 8.6 | coverage: own cut 1.36 A is coarser than the reference, 2 shell(s) not merged |
|
||||
| myob_x06da | inhouse | 50.000 1.422 | 1.24 | 99.8 / 99.4 | 3.5 / 3.5 | 7.2 | 12.7% / 23.2% | 4.4% / 10.5% (4.25 / 4.23) | 0.9963 / 0.987 | 0.27 | 23.9 / 7.6 | like for like |
|
||||
| myob_x06da_powder_1 | inhouse | 50.000 1.495 | 1.73 | 64.0 / 74.2 | 4.5 / 2.9 | 2.2 | 74.4% / 49.3% | 20.1% / 12.5% (4.47 / 4.44) | 0.5783 / 0.966 | 20.41 | 3.8 / 5.5 | coverage: own cut 1.73 A is coarser than the reference, 2 shell(s) not merged |
|
||||
| myob_x06da_powder_2 | inhouse | 999.000 0.990 | 1.47 | 30.7 / 58.0 | 5.5 / 4.7 | 0.8 | 174.0% / 110.6% | 54.2% / 70.6% (2.97 / 2.98) | 0.7833 / 0.655 | 0.52 | 2.3 / 2.2 | coverage: own cut 1.47 A is coarser than the reference, 4 shell(s) not merged |
|
||||
| myob_x06da_sparse | inhouse | 50.000 2.000 | 1.78 | 100.0 / 73.7 | 5.4 / 5.2 | 3.8 | 34.1% / 32.6% | 12.9% / 14.6% (5.96 / 5.92) | 0.9501 / 0.972 | 1.79 | 4.8 / 5.5 | like for like |
|
||||
| myob_x06da_split | inhouse | 50.000 1.506 | 1.86 | 53.8 / 77.7 | 5.7 / 4.4 | 1.9 | 78.2% / 57.7% | 22.1% / 9.1% (4.50 / 4.48) | 0.6999 / 0.984 | 25.56 | 2.7 / 12.4 | coverage: own cut 1.86 A is coarser than the reference, 3 shell(s) not merged |
|
||||
| myob_x10sa | inhouse | 50.000 1.742 | 1.56 | 98.1 / 97.7 | 3.2 / 3.3 | 6.1 | 15.5% / 24.7% | 7.7% / 18.6% (5.20 / 5.16) | 0.9900 / 0.965 | 0.27 | 11.3 / 5.2 | like for like |
|
||||
| thau_bl1a_3p8keV | inhouse | 100.000 3.100 | 3.02 | 93.6 / 92.2 | 9.1 / 7.9 | 31.9 | 6.1% / 5.7% | 5.5% / 3.9% (9.26 / 9.23) | 0.9973 / 0.997 | 0.77 | 31.5 / 30.8 | like for like |
|
||||
| thau_bl1a_4p6keV | inhouse | 100.000 2.530 | 2.47 | 93.2 / 92.0 | 9.1 / 7.9 | 26.9 | 6.5% / 6.2% | 5.1% / 3.9% (7.57 / 7.56) | 0.9978 / 0.998 | 0.88 | 35.1 / 35.6 | like for like |
|
||||
| thau_bl1a_6p5keV | inhouse | 100.000 1.780 | 1.74 | 93.2 / 91.8 | 9.0 / 8.0 | 19.5 | 7.3% / 7.2% | 4.7% / 4.1% (5.33 / 5.33) | 0.9988 / 0.999 | 0.80 | 43.1 / 34.5 | like for like |
|
||||
| thau_micromax_pink | inhouse | 50.000 1.400 | 1.24 | 99.0 / 98.5 | 9.5 / 9.4 | 15.3 | 8.7% / 8.0% | 4.9% / 4.0% (4.19 / 4.17) | 0.9991 / 0.999 | 0.60 | 15.8 / 21.2 | like for like |
|
||||
| thau_x10sa_0p1deg | inhouse | 50.000 2.197 | 1.89 | 99.5 / 99.0 | 11.4 / 11.4 | 12.3 | 13.8% / 23.0% | 6.7% / 10.4% (6.54 / 6.51) | 0.9980 / 0.997 | 0.57 | 10.9 / 9.2 | like for like |
|
||||
| thau_x10sa_16keV | inhouse | 50.000 1.300 | 1.22 | 94.3 / 94.3 | 18.5 / 18.4 | 24.7 | 7.1% / 7.2% | 2.9% / 2.7% (3.89 / 3.89) | 0.9997 / 1.000 | 0.60 | 51.2 / 44.5 | like for like |
|
||||
| thau_x10sa_injection | inhouse | 50.000 1.280 | 1.26 | 86.3 / 86.2 | 10.1 / 10.0 | 37.2 | 3.9% / 3.7% | 2.6% / 2.2% (3.83 / 3.83) | 0.9998 / 1.000 | 0.40 | 32.9 / 36.2 | like for like |
|
||||
| yag_x10sa_20keV | inhouse | 50.000 0.680 | 0.66 | 99.6 / 99.0 | 36.3 / 28.4 | 21.6 | 40.2% / 43.2% | 44.7% / 43.6% (2.04 / 1.99) | 0.8981 / 0.947 | 2.01 | 2.9 / 3.2 | like for like |
|
||||
|
||||
Data quality is not scored; this table is for a human to judge. CC1/2 = S / (S + E) (signal and half-set error variances), so 1 / CC1/2 - 1 = E / S is the half-set noise; the noise ratio is rugnux's over XDS's, with XDS's CC1/2 taken at the bottom of its printed rounding (-0.0005); 2 would mean noisier than XDS's merge with half its observations. The low-resolution R_meas is the lowest shell of each table (the shells are XDS's, so both cover the same reflections); reported like everything here.
|
||||
|
||||
### Small molecules: SHELXL refinement of the published structure
|
||||
|
||||
The set's structure from the Crystallography Open Database (COD id) refined against our p.hkl by SHELXL with one fixed recipe (shelx_check.py: data reindexed into the COD setting, non-H anisotropic, H fixed at the COD positions, EXTI refined, three rounds with the weights SHELXL suggests, MERG 2), the way a chemical crystallographer judges data. WGHT a near its 0.2 ceiling and a large EXTI mean the strong reflections or the sigmas are off; K top is <Fo2>/<Fc2> of SHELXL's strongest analysis-of-variance bin (below 1: strong reflections read low). Fixed-model R1(F) scores the data against |Fc| of the COD model as published, one scale, nothing refined. R(int) means something only for unmerged data. Reported, never scored.
|
||||
|
||||
| set | arm | COD | own d_min | R1 >4sig (n) | wR2 | GooF | EXTI | WGHT a / b | peak / hole e/A3 | R(int) / R(sigma) | K top | fixed-model R1(F) | status |
|
||||
|:--|:--|:--|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|:--|
|
||||
| cytidine | open | 2001311 | 0.58 | 0.0644 (3507) | 0.1842 | 1.075 | 0.072 | 0.040 / 0.16 | 0.29 / -0.25 | 0.0854 / 0.0893 | 1.025 | 0.1168 | ok |
|
||||
| dnba | open | 4510615 | 0.81 | 0.0269 (1171) | 0.0710 | 1.070 | 0.003 | 0.031 / 1.86 | 0.21 / -0.21 | 0.0196 / 0.0215 | 1.009 | 0.0791 | ok |
|
||||
| lalanine | open | 2311261 | 0.65 | 0.0318 (1074) | 0.0965 | 1.149 | 0.000 | 0.056 / 0.08 | 0.21 / -0.24 | 0.0188 / 0.0229 | 1.019 | 0.0429 | ok |
|
||||
| metformin | open | 2108029 | 0.51 | 0.0326 (4457) | 0.1031 | 1.123 | 0.000 | 0.047 / 0.38 | 0.64 / -0.37 | 0.0285 / 0.0205 | 1.011 | 0.0379 | ok |
|
||||
| nidppe | open | 2012031 | 0.51 | 0.0420 (9285) | 0.1050 | 1.038 | 0.004 | 0.039 / 0.54 | 0.63 / -0.71 | 0.0738 / 0.0533 | 0.993 | 0.1541 | ok |
|
||||
| aspirin_x10sa_20keV | inhouse | 7050897 | 0.66 | 0.0370 (2286) | 0.1152 | 1.129 | 0.010 | 0.059 / 0.31 | 0.40 / -0.38 | 0.0274 / 0.0173 | 1.006 | 0.0821 | ok |
|
||||
| aspirin_x10sa_25keV | inhouse | 7050897 | 0.53 | 0.0361 (4375) | 0.1188 | 1.073 | 0.011 | 0.073 / 0.10 | 0.59 / -0.45 | 0.0286 / 0.0183 | 1.008 | 0.0942 | ok |
|
||||
| citricacid_x10sa_20keV | inhouse | 5000063 | 0.67 | 0.0393 (2086) | 0.1060 | 1.098 | 0.180 | 0.052 / 0.39 | 0.40 / -0.26 | 0.0368 / 0.0289 | 1.013 | 0.2734 | ok |
|
||||
| hepes_x10sa_20keV | inhouse | 2224210 | 0.66 | 0.0307 (3355) | 0.0862 | 1.060 | 0.048 | 0.051 / 0.70 | 0.42 / -0.53 | 0.0260 / 0.0127 | 1.013 | 0.0424 | ok |
|
||||
| kdp_x10sa_20keV | inhouse | 9009999 | 0.66 | 0.0475 (305) | 0.1206 | 1.380 | 0.027 | 0.000 / 6.36 | 0.80 / -0.74 | 0.0521 / 0.0250 | 0.990 | 0.2662 | ok |
|
||||
| lcystine_x10sa_20keV | inhouse | 1513328 | 0.67 | 0.1251 (1154) | 0.3491 | 1.077 | 0.000 | 0.189 / 5.81 | 0.93 / -0.76 | 0.4085 / 0.1561 | 1.199 | 0.1758 | ok |
|
||||
| lcystine_x10sa_25keV | inhouse | 1513328 | 0.53 | 0.1116 (2019) | 0.3237 | 1.129 | 0.000 | 0.163 / 1.08 | 1.58 / -1.98 | 0.3961 / 0.1547 | 1.119 | 0.2390 | ok |
|
||||
| yag_x10sa_20keV | inhouse | 2003066 | 0.66 | 0.1005 (245) | 0.2385 | 1.110 | 0.533 | 0.177 / 23.16 | 2.74 / -4.37 | 0.5137 / 0.1066 | 0.871 | 0.1684 | ok |
|
||||
|
||||
XDS merged past its own signal (CC1/2 of its finest shell not significant), so the reference d_min is where XDS's CC1/2 falls through 0.30, and that is also the d_min of the reference-range table: cytc_x10sa (XDS range 2.04 A, reference 2.27 A); insu_I_x06da_weak (XDS range 1.08 A, reference 1.81 A); lyso_x10sa_strong (XDS range 1.18 A, reference 1.24 A). XDS's pooled R_meas, CC1/2 and completeness are over its whole range.
|
||||
|
||||
### Failures
|
||||
|
||||
| set | arm | cause | reason |
|
||||
|:--|:--|:--|:--|
|
||||
| 3r6o | open | sym_over | I 41 2 2 vs reference I 41 |
|
||||
| 5cc8 | open | sym_screw | P 21 21 21 vs reference P 21 21 2 |
|
||||
| 5ebi | open | sym_over | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 9hnc | open | sym_screw | P 1 21 1 vs reference P 1 2 1 |
|
||||
| 5ky6 | open | sym_screw | P 1 2 1 vs reference P 1 21 1 |
|
||||
| 8c3e | open | sym_over | P 6 2 2 vs reference P 31 2 1 |
|
||||
| 4bwl | open | sym_over | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 2wnq | open | sym_over | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 2ygz | open | sym_over | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 6oww | open | sym_over | P 41 21 2 vs reference P 1 21 1 |
|
||||
|
||||
Not scored: 7k1l (P 6 vs reference P 63: the screw along c is undeterminable from these data (offered P 61 | P 65 | P 62 | P 64 | P 63)); 7mzt (P 21 21 21 vs reference P 21 21 2: the screw along c is undeterminable from these data (offered P 21 21 2)); cuhf2 (no reference to score against)
|
||||
|
||||
### Accepted alternatives
|
||||
|
||||
4 of the passes above are rows that accept more than one reference: the deposition and our reduction disagree, the disagreement is real, and no test available to us settles it, so either answer passes as long as the program picks one of them. These are open questions, not errors attributed to the deposition; the manifest's `ref` keeps the deposited values verbatim in every one of them.
|
||||
|
||||
- 6pxb (open): we report P 31 1 2, the reference is P 32; accepted as P 32 1 2. The deposition merged in point group 3 (its 55502 unique reflections to 1.747 A are what Laue class -3 holds, twice what -3 1 m would) and refined six chains in P 32. The intensities read point group 312 instead: the three added two-folds correlate at 0.98-0.99, at or above the three-folds nobody disputes (0.98), against 0.37-0.40 for the 321 and 622 operators, POINTLESS on our P1 merge picks P -3 1 m (likelihood 1.000), and the reflections centric in 312 but not in 3 are distributed as centric (+435 nats), which a twin law cannot produce. Against that, the deposited chains pair under the added two-fold at 0.3-0.7 A, more than coordinate error at 1.75 A, and the model tells the two indexings apart (R 0.22 against 0.25), so the two-fold may be a near-exact non-crystallographic one; ZANUDA settles on P 32 2 1, whose operators these data do not support. Neither answer is established, so both are accepted; P 31 1 2, which the data cannot separate from P 32 1 2, is accepted as its hand
|
||||
- 6toc (open): we report P 42 2 2, the reference is P 42; accepted as P 42 2 2. Our reduction and an independent POINTLESS run on our own P1 merge both read point group 422, and the deposited asymmetric unit's two chains are related by the very two-fold the higher group adds, to 0.16 A CA RMSD over 43 residues - coordinate error at 1.85 A. Merging in P 42 2 2 costs 0.0006 in R_meas for 1.75x the multiplicity and correlates better with the deposited model (0.9802 vs 0.9764). The refinement test is NOT unanimous: ZANUDA 1.097 refines P 42 2 2 to R-free 0.2561 against P 42's 0.2636 at half the parameters and reports the deposited assignment incorrect, while an independent Refmac 5.8.0431 comparison on a symmetry-consistent free set puts P 42 ahead by 0.004-0.020 depending on cycle count - less than the spread between refinement protocols. Neither answer is established: a pseudo-symmetry too exact for any test we have remains a live explanation, and so does the deposited assignment. Either is accepted
|
||||
- 8xte (open): we report P 31 2 1, the reference is P 32; accepted as P 31 2 1. The evidence favours the higher group here. The twin-immune centric zone of the added two-folds - reflections the higher group makes centric, which are their own twin mates and so cannot be made to read centric by a merohedral twin law - gives <|E^2-1|> = 0.946 +/- 0.012 against a centric expectation of 0.968 and an acentric 0.736, at +707 nats. Re-refinement on a shared free set with the twin law removed from both sides favours P 3_2 2 1 (0.2177/0.2322) over P 3_2 (0.2460/0.2612), and the deposited entry's published R values reproduce only with an undeclared twin law h,-h-k,-l at alpha = 0.50, which is itself a 321-symmetric target. No refinement R can close the question in principle, because a merohedral twin at exactly alpha = 0.5 and true 321 predict identical intensities; the case rests on the centric zone. Both answers are accepted, ours being the better supported
|
||||
- 8xtg (open): we report P 31 2 1, the reference is P 32; accepted as P 31 2 1. The evidence favours the DEPOSITION here, and this row must not be read as the 8xte one. Every correlation-based instrument we have - our own operator correlations, POINTLESS (0.85 on our P1 merge) - reads point group 321, but our own twin-immune centric-zone test, the only one that separates real symmetry from pseudo-symmetry, read <|E^2-1|> = 0.869 at -44.9 nats against the promotion when it assumed an untwinned zone; read at the fraction of the crystal's other twin laws (rc174) it now favours the promotion, with an L-test twin fraction of 0.20-0.26. Whether this crystal is partially twinned or purely pseudo-symmetric is not established. Both answers are accepted, the deposition being the better supported
|
||||
|
||||
### Per set
|
||||
|
||||
Space group: on the open arm the data's own determination. Where --model put the model's enantiomorph on the label, the label is in the note and the group scored is the search's.
|
||||
|
||||
R_free and R_work describe one run against its model and do not carry across runs: the model is scaled to the data by an overall factor and an anisotropic B, so whatever the amplitudes' radial profile does that this shape cannot follow is reported as R, and a change in the profile alone moves R_free further than a real change in the data does. R_model (shell-scaled) is the same R with one free scale per resolution shell removing exactly that, over every reflection rather than the free 5%, and it is the column to read in a delta table. Radial misfit is how big that per-shell rescale had to be (the RMS of its logarithm): when it moves between two runs, R_free between them means little. Both are reported for a human to judge; nothing is scored on them.
|
||||
|
||||
Anom. sigma is the anomalous difference map (F+ - F- on the model's phases) read at the model's anomalous scatterers - every atom from phosphorus up: the S of Met and Cys, metals, Cl, I - and averaged, in units of the map's r.m.s.: how much anomalous signal the merge carries, on the model's yardstick. Reported, never scored.
|
||||
|
||||
| set | arm | verdict | space group | ref | cell dev % | V ratio | d_min | ref d_min | gain | compl % | mult | R_meas | low-res R_meas | CC1/2 | ISa | ref ISa | idx | R_model (shell-scaled) | radial misfit | CC model | R_free (within-run) | R_work | dep R_free | R_free ratio | anom. sigma | dCC dep. outer | model fit | time s | note |
|
||||
|:--|:--|:--|:--|:--|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|--:|:--|
|
||||
| 11if | open | pass | P 41 | P 43 | 0.14 | 0.998 | 1.36 | 1.51 | +9.9% | 88.6 | 11.1 | 4.8% | 2.8% | 1.000 | 26.1 | - | - | 0.192 | 0.140 | 0.966 | 0.189 | 0.198 | 0.210 | 0.899 | 3.090 | 0.020 | ACCEPTED | 8 | P 41 vs reference P 43 (hand only (needs anomalous)); labelled P 43 from the model |
|
||||
| 2wnn | open | pass | P 1 21 1 | P 1 21 1 | 0.09 | 1.003 | 1.43 | 1.65 | +13.3% | 72.2 | 3.6 | 6.7% | 4.2% | 0.998 | 15.2 | - | - | 0.279 | 0.187 | 0.914 | 0.287 | 0.284 | 0.249 | 1.154 | 1.040 | -0.348 | NOT_TESTED | 27 | |
|
||||
| 2wnq | open | fail | C 2 2 21 | P 1 21 1 | 68.38 | 0.996 | 1.65 | 1.80 | +8.4% | 96.8 | 7.1 | 10.9% | 5.8% | 0.997 | 10.6 | - | - | 0.536 | 0.183 | 0.335 | 0.537 | 0.545 | 0.253 | 2.122 | -0.060 | -0.550 | NOT_TESTED | 20 | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 2wnz | open | pass | P 1 21 1 | P 1 21 1 | 0.20 | 1.002 | 1.83 | 1.85 | +0.9% | 99.6 | 3.7 | 11.1% | 3.6% | 0.997 | 17.4 | - | - | 0.203 | 0.222 | 0.937 | 0.229 | 0.232 | 0.225 | 1.015 | 1.000 | -0.331 | ACCEPTED | 19 | |
|
||||
| 2xfw | open | pass | P 1 21 1 | P 1 21 1 | 0.06 | 1.000 | 1.54 | 1.65 | +6.8% | 99.7 | 3.7 | 14.1% | 4.1% | 0.996 | 15.3 | - | - | 0.198 | 0.159 | 0.953 | 0.219 | 0.217 | 0.182 | 1.204 | 1.180 | -0.451 | ACCEPTED | 41 | |
|
||||
| 2ygz | open | fail | C 2 2 21 | P 1 21 1 | 39.55 | 0.999 | 1.71 | 1.80 | +5.1% | 99.7 | 14.5 | 25.4% | 10.7% | 0.993 | 4.3 | - | - | - | - | - | - | - | - | - | - | - | - | 24 | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 36gk | open | pass | I 2 2 2 | I 2 2 2 | 0.08 | 0.999 | 2.10 | 2.28 | +7.8% | 99.7 | 13.8 | 15.8% | 7.4% | 0.998 | 11.6 | - | - | 0.202 | 0.115 | 0.950 | 0.203 | 0.212 | 0.223 | 0.913 | 2.810 | 0.015 | NOT_TESTED | 23 | |
|
||||
| 3inp | open | pass | F 41 3 2 | F 41 3 2 | 0.04 | 1.001 | 1.70 | 2.05 | +17.0% | 99.7 | 18.7 | 10.5% | 5.5% | 0.999 | 13.2 | - | - | 0.237 | 0.083 | 0.945 | 0.239 | 0.240 | 0.177 | 1.352 | 3.150 | 0.003 | NOT_TESTED | 24 | |
|
||||
| 3ky7 | open | pass | P 43 3 2 | P 43 3 2 | 0.03 | 1.001 | 1.92 | 2.35 | +18.3% | 99.7 | 25.7 | 10.6% | 5.8% | 0.999 | 12.2 | - | - | 0.339 | 0.051 | 0.899 | 0.334 | 0.341 | 0.255 | 1.310 | 0.380 | 0.002 | NOT_TESTED | 21 | |
|
||||
| 3mc4 | open | pass | R 3:H | H 3 | 0.15 | 0.997 | 1.75 | 1.95 | +10.0% | 77.2 | 3.3 | 9.8% | 8.0% | 0.995 | 12.7 | - | - | 0.247 | 0.053 | 0.903 | 0.248 | 0.249 | 0.156 | 1.590 | 1.590 | -0.327 | ACCEPTED | 5 | |
|
||||
| 3meb | open | pass | P 1 21 1 | P 1 21 1 | 0.92 | 0.982 | 1.70 | 1.90 | +10.3% | 43.2 | 2.1 | 14.6% | 9.9% | 0.987 | 13.2 | - | - | 0.203 | 0.129 | 0.952 | 0.206 | 0.207 | 0.214 | 0.965 | -0.300 | -0.133 | NOT_TESTED | 5 | |
|
||||
| 3p85 | open | pass | P 63 2 2 | P 63 2 2 | 0.47 | 1.007 | 1.62 | 1.90 | +14.7% | 86.4 | 10.8 | 11.8% | 9.4% | 0.998 | 8.6 | - | - | 0.203 | 0.147 | 0.952 | 0.206 | 0.210 | 0.216 | 0.954 | 8.970 | -0.380 | NOT_TESTED | 8 | |
|
||||
| 3r6o | open | fail | I 41 2 2 | I 41 | 0.51 | 0.988 | 1.53 | 1.95 | +21.4% | 42.9 | 7.2 | 20.3% | 17.9% | 0.986 | 4.2 | - | - | 0.296 | 0.657 | 0.814 | 0.298 | 0.298 | 0.185 | 1.609 | 1.480 | -0.643 | NOT_TESTED | 4 | I 41 2 2 vs reference I 41 |
|
||||
| 4bwl | open | fail | C 2 2 21 | P 1 21 1 | 72.05 | 1.004 | 1.68 | 2.00 | +15.9% | 99.4 | 7.0 | 14.6% | 6.0% | 0.998 | 13.7 | - | - | 0.522 | 0.128 | 0.387 | 0.532 | 0.525 | 0.235 | 2.265 | 0.120 | -0.522 | NOT_TESTED | 20 | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 4mtk | open | pass | P 61 | P 61 | 0.02 | 1.000 | 2.87 | 3.32 | +13.7% | 99.3 | 8.8 | 21.5% | 5.7% | 0.991 | 15.6 | - | - | 0.219 | 0.159 | 0.897 | 0.243 | 0.241 | 0.195 | 1.242 | 0.370 | 0.019 | NOT_TESTED | 21 | |
|
||||
| 4nwv | open | pass | I 2 2 2 | I 2 2 2 | 0.31 | 1.009 | 2.94 | 3.25 | +9.5% | 98.9 | 4.3 | 47.0% | 10.6% | 0.968 | 8.4 | - | - | 0.293 | 0.079 | 0.824 | 0.297 | 0.298 | 0.279 | 1.065 | 0.440 | -0.028 | ACCEPTED | 110 | |
|
||||
| 4p8r | open | pass | P 61 2 2 | P 65 2 2 | 0.06 | 0.998 | 2.02 | 2.20 | +8.0% | 89.5 | 12.3 | 15.2% | 15.8% | 0.995 | 7.2 | - | - | 0.175 | 0.197 | 0.892 | 0.216 | 0.218 | 0.197 | 1.093 | 1.080 | -0.018 | ACCEPTED | 53 | P 61 2 2 vs reference P 65 2 2 (hand only (needs anomalous)); labelled P 65 2 2 from the model |
|
||||
| 5cc8 | open | fail | P 21 21 21 | P 21 21 2 | 0.10 | 1.000 | 1.53 | 1.75 | +12.7% | 44.9 | 4.1 | 7.9% | 6.9% | 0.997 | 11.2 | - | - | 0.171 | 0.251 | 0.957 | 0.185 | 0.179 | 0.194 | 0.958 | 4.880 | 0.041 | ACCEPTED | 5 | P 21 21 21 vs reference P 21 21 2 |
|
||||
| 5ebi | open | fail | C 2 2 21 | P 1 21 1 | 40.36 | 1.001 | 0.86 | 1.09 | +20.8% | 99.4 | 6.8 | 12.2% | 7.2% | 0.998 | 10.9 | - | - | 0.580 | 0.132 | 0.338 | 0.572 | 0.585 | 0.169 | 3.386 | -0.100 | 0.023 | REJECTED | 17 | C 2 2 21 vs reference P 1 21 1 |
|
||||
| 5epe | open | pass | F 2 3 | F 2 3 | 0.03 | 0.999 | 1.75 | 1.90 | +7.7% | 99.7 | 13.8 | 26.0% | 6.5% | 0.997 | 11.1 | - | - | 0.179 | 0.117 | 0.969 | 0.183 | 0.186 | 0.167 | 1.093 | 9.530 | -0.103 | ACCEPTED | 21 | |
|
||||
| 5f6m | open | pass | P 21 21 21 | P 21 21 21 | 0.08 | 1.002 | 1.09 | 1.10 | +1.0% | 78.8 | 4.0 | 5.1% | 3.7% | 0.999 | 23.0 | - | - | 0.152 | 0.131 | 0.972 | 0.165 | 0.160 | 0.154 | 1.065 | 6.060 | -0.059 | NOT_TESTED | 6 | |
|
||||
| 5j23 | open | pass | R 3:H | H 3 | 0.15 | 0.997 | 2.20 | 2.30 | +4.3% | 99.7 | 5.2 | 14.8% | 6.0% | 0.996 | 11.5 | - | - | 0.226 | 0.125 | 0.937 | 0.232 | 0.235 | 0.169 | 1.375 | 0.830 | 0.323 | ACCEPTED | 23 | |
|
||||
| 5jk4 | open | pass | P 1 21 1 | P 1 21 1 | 0.15 | 1.000 | 0.96 | 1.10 | +12.3% | 75.2 | 3.9 | 9.1% | 4.2% | 0.998 | 14.5 | - | - | 0.111 | 0.153 | 0.980 | 0.128 | 0.125 | 0.125 | 1.026 | 3.690 | 0.022 | NOT_TESTED | 8 | |
|
||||
| 5jvn | open | pass | P 6 2 2 | P 6 2 2 | 0.03 | 0.999 | 2.23 | 2.90 | +22.9% | 98.6 | 16.8 | 16.5% | 5.4% | 0.998 | 14.9 | - | - | 0.228 | 0.125 | 0.886 | 0.246 | 0.246 | 0.235 | 1.047 | 1.390 | 0.086 | NOT_TESTED | 29 | |
|
||||
| 5ky6 | open | fail | P 1 2 1 | P 1 21 1 | 1.03 | 0.981 | 1.50 | 1.94 | +22.7% | 83.0 | 2.5 | 18.7% | 10.0% | 0.987 | 6.9 | - | - | 0.245 | 0.175 | 0.933 | 0.263 | 0.259 | 0.223 | 1.179 | 0.680 | -0.212 | NOT_TESTED | 17 | P 1 2 1 vs reference P 1 21 1 |
|
||||
| 5lzl | open | pass | P 31 2 1 | P 31 2 1 | 0.37 | 0.990 | 2.89 | 3.47 | +16.8% | 95.6 | 9.0 | 18.5% | 5.0% | 0.997 | 14.6 | - | - | 0.222 | 0.140 | 0.877 | 0.229 | 0.234 | 0.250 | 0.917 | 1.270 | -0.037 | NOT_TESTED | 10 | |
|
||||
| 5m17 | open | pass | I 4 | I 4 | 0.10 | 0.998 | 0.98 | 1.03 | +4.7% | 92.3 | 6.0 | 5.5% | 5.1% | 0.996 | 16.1 | - | - | 0.132 | 0.216 | 0.961 | 0.158 | 0.157 | 0.130 | 1.214 | 7.030 | -0.031 | ACCEPTED | 57 | |
|
||||
| 5mln | open | pass | P 21 21 2 | P 21 2 21 | 0.25 | 0.998 | 1.27 | 1.60 | +20.7% | 99.7 | 8.1 | 10.4% | 3.6% | 0.999 | 21.0 | - | - | 0.182 | 0.151 | 0.949 | 0.189 | 0.198 | 0.180 | 1.053 | 2.070 | -0.012 | ACCEPTED | 14 | |
|
||||
| 5nw5 | open | pass | P 21 21 21 | P 21 21 21 | 0.24 | 0.996 | 7.04 | 6.50 | -8.3% | 99.6 | 6.3 | 32.8% | 14.5% | 0.937 | 8.4 | - | - | 0.324 | 0.134 | 0.849 | 0.364 | 0.331 | 0.277 | 1.317 | 0.060 | 0.031 | NOT_TESTED | 16 | |
|
||||
| 5ojv | open | pass | P 21 21 2 | P 21 21 2 | 0.50 | 0.993 | 1.85 | 2.06 | +10.2% | 98.6 | 6.5 | 14.5% | 4.8% | 0.982 | 12.6 | - | - | 0.174 | 0.151 | 0.959 | 0.186 | 0.191 | 0.194 | 0.962 | 1.490 | -0.003 | NOT_TESTED | 33 | |
|
||||
| 5reo | open | pass | C 1 2 1 | C 1 2 1 | 0.36 | 1.010 | 1.64 | 1.88 | +12.8% | 99.4 | 3.0 | 23.6% | 8.0% | 0.989 | 23.0 | - | - | 0.205 | 0.056 | 0.960 | 0.201 | 0.208 | 0.227 | 0.888 | 0.720 | -0.034 | NOT_TESTED | 7 | |
|
||||
| 5src | open | pass | P 41 | P 43 | 0.15 | 0.998 | 0.97 | 1.05 | +7.8% | 99.0 | 6.2 | 5.7% | 3.1% | 0.999 | 19.4 | - | - | 0.161 | 0.189 | 0.962 | 0.182 | 0.180 | 0.175 | 1.040 | 5.970 | 0.033 | ACCEPTED | 23 | P 41 vs reference P 43 (hand only (needs anomalous)); labelled P 43 from the model |
|
||||
| 5t39 | open | pass | P 1 21 1 | P 1 21 1 | 0.17 | 1.004 | 1.00 | 1.10 | +8.9% | 89.9 | 4.2 | 7.3% | 4.4% | 0.998 | 16.1 | - | - | 0.151 | 0.079 | 0.956 | 0.156 | 0.154 | 0.154 | 1.016 | 6.350 | -0.054 | NOT_TESTED | 21 | |
|
||||
| 5uth | open | pass | P 31 2 1 | P 31 2 1 | 0.23 | 0.994 | 1.72 | 1.95 | +11.7% | 82.7 | 8.4 | 11.8% | 7.1% | 0.998 | 10.1 | - | - | 0.189 | 0.200 | 0.955 | 0.211 | 0.203 | 0.202 | 1.043 | 3.520 | -0.015 | ACCEPTED | 5 | |
|
||||
| 5vml | open | pass | P 42 21 2 | P 42 21 2 | 0.06 | 0.999 | 1.91 | 1.70 | -12.1% | 80.3 | 7.4 | 9.6% | 9.3% | 0.997 | 11.6 | - | - | 0.144 | 0.076 | 0.964 | 0.153 | 0.147 | 0.171 | 0.896 | 4.150 | -0.028 | NOT_TESTED | 4 | |
|
||||
| 6cdl | open | pass | P 21 21 2 | P 21 21 2 | 0.94 | 1.013 | 1.13 | 1.25 | +9.8% | 71.5 | 6.6 | 8.5% | 6.9% | 0.996 | 10.0 | - | - | 0.147 | 0.149 | 0.950 | 0.154 | 0.153 | 0.181 | 0.851 | 4.350 | -0.017 | NOT_TESTED | 26 | |
|
||||
| 6cee | open | pass | P 21 21 21 | P 21 21 21 | 0.05 | 1.001 | 1.38 | 1.55 | +10.8% | 87.8 | 6.1 | 5.4% | 3.5% | 0.999 | 24.1 | - | - | 0.166 | 0.131 | 0.952 | 0.174 | 0.182 | 0.169 | 1.030 | 8.930 | 0.001 | NOT_TESTED | 6 | |
|
||||
| 6cs9 | open | pass | P 1 21 1 | P 1 21 1 | 0.07 | 0.999 | 1.71 | 1.85 | +7.8% | 90.1 | 3.8 | 10.1% | 4.3% | 0.998 | 12.9 | - | - | 0.211 | 0.146 | 0.903 | 0.206 | 0.227 | 0.227 | 0.908 | 0.790 | 0.010 | NOT_TESTED | 7 | |
|
||||
| 6f3p | open | pass | C 1 2 1 | C 1 2 1 | 0.21 | 0.994 | 1.15 | 1.35 | +14.9% | 99.7 | 3.7 | 10.0% | 5.4% | 0.997 | 9.3 | - | - | 0.143 | 0.196 | 0.967 | 0.166 | 0.166 | 0.127 | 1.305 | -3.320 | 0.013 | NOT_TESTED | 32 | |
|
||||
| 6fid | open | pass | P 21 21 21 | P 21 21 21 | 0.40 | 1.007 | 1.98 | 2.20 | +10.1% | 72.9 | 12.5 | 9.6% | 10.3% | 0.998 | 13.5 | - | - | 0.193 | 0.057 | 0.944 | 0.197 | 0.199 | 0.220 | 0.899 | 11.290 | -0.018 | NOT_TESTED | 20 | |
|
||||
| 6fvz | open | pass | C 2 2 2 | C 2 2 2 | 0.18 | 0.996 | 1.48 | 1.80 | +17.7% | 99.4 | 6.7 | 24.5% | 5.1% | 0.996 | 20.8 | - | - | 0.198 | 0.091 | 0.954 | 0.202 | 0.206 | 0.199 | 1.019 | 1.330 | -0.005 | NOT_TESTED | 23 | |
|
||||
| 6fwc | open | pass | C 2 2 2 | C 2 2 2 | 0.04 | 0.999 | 1.41 | 1.70 | +16.9% | 94.7 | 4.0 | 16.4% | 4.3% | 0.995 | 27.3 | - | - | 0.188 | 0.098 | 0.959 | 0.196 | 0.198 | 0.189 | 1.037 | 1.450 | 0.018 | NOT_TESTED | 14 | |
|
||||
| 6g1f | open | pass | C 1 2 1 | C 1 2 1 | 0.06 | 0.999 | 1.98 | 2.25 | +12.1% | 99.6 | 3.8 | 11.2% | 3.8% | 0.997 | 20.8 | - | - | 0.206 | 0.112 | 0.953 | 0.219 | 0.217 | 0.211 | 1.038 | 1.040 | 0.013 | NOT_TESTED | 23 | |
|
||||
| 6gvk | open | pass | C 1 2 1 | C 1 2 1 | 0.13 | 0.997 | 1.42 | 1.55 | +8.5% | 99.7 | 6.7 | 5.3% | 3.3% | 0.999 | 19.5 | - | - | 0.201 | 0.182 | 0.952 | 0.215 | 0.213 | 0.210 | 1.025 | 2.030 | -0.006 | NOT_TESTED | 17 | |
|
||||
| 6h2p_1p89A | open | pass | C 2 2 21 | C 2 2 21 | 0.08 | 0.998 | 1.76 | - | - | 87.8 | 10.2 | 8.7% | 5.3% | 0.999 | 22.6 | - | - | 0.144 | 0.073 | 0.971 | 0.149 | 0.148 | 0.170 | 0.876 | 9.050 | 0.026 | NOT_TESTED | 25 | |
|
||||
| 6h2p_native | open | pass | C 2 2 21 | C 2 2 21 | 0.06 | 0.999 | 1.32 | 1.48 | +10.8% | 99.5 | 6.6 | 13.6% | 4.0% | 0.999 | 19.8 | - | - | 0.160 | 0.070 | 0.973 | 0.165 | 0.165 | 0.170 | 0.968 | 3.320 | 0.042 | NOT_TESTED | 30 | |
|
||||
| 6h5t | open | pass | I 4 2 2 | I 4 2 2 | 0.40 | 0.991 | 1.45 | 1.69 | +13.9% | 99.1 | 7.3 | 14.7% | 8.3% | 0.996 | 9.3 | - | - | 0.197 | 0.209 | 0.941 | 0.225 | 0.221 | 0.191 | 1.179 | 9.050 | -0.014 | NOT_TESTED | 14 | |
|
||||
| 6hv2 | open | pass | P 61 2 2 | P 61 2 2 | 0.06 | 0.999 | 1.40 | 1.71 | +18.0% | 99.7 | 28.9 | 19.8% | 5.4% | 1.000 | 14.6 | - | - | 0.219 | 0.262 | 0.948 | 0.239 | 0.241 | 0.263 | 0.908 | 7.840 | -0.004 | NOT_TESTED | 19 | |
|
||||
| 6hwj | open | pass | P 1 21 1 | P 1 21 1 | 0.10 | 1.001 | 1.70 | 1.98 | +13.9% | 97.5 | 3.5 | 9.2% | 2.5% | 0.999 | 39.0 | - | - | 0.189 | 0.102 | 0.960 | 0.190 | 0.196 | 0.214 | 0.887 | 1.500 | 0.052 | NOT_TESTED | 10 | |
|
||||
| 6i3j | open | pass | F 2 2 2 | F 2 2 2 | 0.17 | 1.000 | 2.33 | 2.59 | +10.1% | 98.9 | 7.2 | 21.5% | 12.7% | 0.985 | 7.8 | - | - | 0.192 | 0.179 | 0.934 | 0.229 | 0.228 | 0.226 | 1.016 | 2.070 | -0.005 | NOT_TESTED | 19 | |
|
||||
| 6iu5 | open | pass | P 31 | P 31 | 0.02 | 1.000 | 2.12 | 2.25 | +5.9% | 99.2 | 4.8 | 18.2% | 11.2% | 0.993 | 8.0 | - | - | 0.212 | 0.079 | 0.932 | 0.215 | 0.221 | 0.250 | 0.862 | 7.660 | -0.018 | ACCEPTED | 16 | |
|
||||
| 6iu6 | open | pass | P 31 | P 31 | 0.33 | 0.996 | 2.35 | 2.90 | +19.0% | 97.0 | 4.2 | 11.7% | 8.2% | 0.996 | 7.1 | - | - | 0.221 | 0.171 | 0.947 | 0.235 | 0.239 | 0.211 | 1.112 | 3.540 | -0.018 | ACCEPTED | 16 | |
|
||||
| 6iu8 | open | pass | P 31 | P 31 | 0.09 | 0.998 | 2.34 | 2.70 | +13.4% | 99.7 | 10.2 | 14.2% | 7.5% | 0.997 | 8.0 | - | - | 0.270 | 0.149 | 0.911 | 0.281 | 0.280 | 0.215 | 1.310 | 1.210 | -0.028 | ACCEPTED | 11 | |
|
||||
| 6iu9 | open | pass | P 31 | P 31 | 0.20 | 1.002 | 2.76 | 3.00 | +8.0% | 99.6 | 4.8 | 13.9% | 9.7% | 0.994 | 5.5 | - | - | 0.313 | 0.107 | 0.819 | 0.323 | 0.315 | 0.265 | 1.218 | 1.470 | -0.024 | ACCEPTED | 16 | |
|
||||
| 6jgh | open | pass | P 21 21 21 | P 21 21 21 | 0.34 | 1.008 | 0.88 | 0.94 | +6.3% | 99.3 | 7.3 | 23.0% | 10.7% | 0.990 | 6.7 | - | - | 0.134 | 0.155 | 0.964 | 0.153 | 0.154 | 0.129 | 1.184 | 2.060 | -0.067 | NOT_TESTED | 34 | |
|
||||
| 6jgi | open | pass | P 21 21 21 | P 21 21 21 | 0.20 | 0.997 | 0.75 | 0.85 | +11.9% | 98.5 | 7.0 | 14.3% | 8.5% | 0.995 | 8.4 | - | - | 0.112 | 0.147 | 0.974 | 0.128 | 0.127 | 0.112 | 1.148 | 6.310 | 0.068 | NOT_TESTED | 32 | |
|
||||
| 6jgj | open | pass | P 21 21 21 | P 21 21 21 | 0.37 | 0.992 | 0.65 | 0.77 | +16.0% | 84.5 | 7.0 | 7.4% | 4.6% | 0.999 | 15.1 | - | - | 0.163 | 0.052 | 0.965 | 0.167 | 0.166 | 0.125 | 1.333 | 2.590 | 0.032 | NOT_TESTED | 30 | |
|
||||
| 6moj | open | pass | I 41 2 2 | I 41 2 2 | 0.14 | 0.997 | 2.43 | 2.43 | +0.0% | 99.7 | 26.2 | 51.5% | 8.8% | 0.998 | 8.4 | - | - | 0.249 | 0.196 | 0.916 | 0.258 | 0.262 | 0.250 | 1.028 | 1.160 | 0.026 | NOT_TESTED | 38 | |
|
||||
| 6nen | open | pass | P 3 1 2 | P 3 1 2 | 0.17 | 0.998 | 1.77 | 2.15 | +17.8% | 99.6 | 22.0 | 26.2% | 10.4% | 0.997 | 6.1 | - | - | 0.208 | 0.116 | 0.936 | 0.217 | 0.216 | 0.208 | 1.046 | 0.250 | 0.003 | NOT_TESTED | 12 | |
|
||||
| 6o2h | open | pass | P 1 | P 1 | 0.74 | 0.982 | 1.10 | 1.21 | +9.5% | 30.3 | 1.1 | 7.0% | 8.3% | 0.977 | 23.9 | - | - | 0.096 | 0.132 | 0.934 | 0.129 | 0.127 | 0.117 | 1.103 | 0.110 | -0.003 | ACCEPTED | 9 | |
|
||||
| 6oel | open | pass | F 41 3 2 | F 41 3 2 | 0.09 | 0.997 | 2.85 | 3.10 | +8.2% | 99.7 | 40.2 | 36.1% | 8.0% | 0.998 | 10.3 | - | - | 0.248 | 0.133 | 0.812 | 0.255 | 0.258 | 0.256 | 0.999 | 0.610 | -0.031 | NOT_TESTED | 20 | |
|
||||
| 6oww | open | fail | P 41 21 2 | P 1 21 1 | 0.24 | 0.997 | 2.83 | 3.84 | +26.3% | 99.7 | 41.4 | 177.6% | 13.4% | 0.995 | 12.4 | - | - | 0.355 | 0.060 | 0.866 | 0.365 | 0.358 | 0.340 | 1.074 | 2.060 | -0.043 | ACCEPTED | 33 | P 41 21 2 vs reference P 1 21 1 |
|
||||
| 6p8j | open | pass | P 1 21 1 | P 1 21 1 | 0.38 | 0.993 | 1.35 | 1.47 | +8.3% | 98.3 | 3.1 | 16.1% | 6.0% | 0.992 | 9.2 | - | - | 0.208 | 0.084 | 0.941 | 0.214 | 0.214 | 0.229 | 0.935 | 0.250 | 0.056 | NOT_TESTED | 51 | |
|
||||
| 6p8p | open | pass | P 4 | P 4 | 0.12 | 1.003 | 1.45 | 1.64 | +11.5% | 99.7 | 6.7 | 13.6% | 5.0% | 0.998 | 16.0 | - | - | 0.191 | 0.112 | 0.951 | 0.203 | 0.202 | 0.198 | 1.024 | 1.890 | -0.013 | NOT_TESTED | 15 | |
|
||||
| 6pb3 | open | pass | P 6 | P 6 | 0.11 | 1.003 | 1.84 | 2.05 | +10.1% | 93.5 | 10.3 | 6.6% | 3.0% | 1.000 | 24.8 | - | - | 0.214 | 0.102 | 0.957 | 0.227 | 0.218 | 0.252 | 0.903 | 10.520 | 0.046 | ACCEPTED | 24 | |
|
||||
| 6pxb | open | pass | P 31 1 2 | P 32 | 0.27 | 0.994 | 1.41 | 1.75 | +19.5% | 99.7 | 10.0 | 8.7% | 4.7% | 0.999 | 12.0 | - | - | 0.239 | 0.242 | 0.959 | 0.277 | 0.259 | 0.263 | 1.051 | 0.650 | -0.001 | NOT_TESTED | 11 | P 31 1 2 vs reference P 32: accepted alternative P 32 1 2 - a knife-edge this battery does not decide |
|
||||
| 6pxc | open | pass | I 2 2 2 | I 2 2 2 | 0.24 | 0.995 | 1.43 | 1.60 | +10.9% | 96.8 | 5.7 | 7.7% | 5.3% | 0.998 | 10.5 | - | - | 0.209 | 0.168 | 0.959 | 0.214 | 0.217 | 0.210 | 1.022 | 0.670 | 0.028 | NOT_TESTED | 9 | |
|
||||
| 6qaj | open | pass | C 2 2 21 | C 2 2 21 | 0.47 | 0.991 | 2.78 | 2.90 | +4.2% | 99.7 | 9.2 | 24.5% | 4.8% | 0.999 | 12.8 | - | - | 0.320 | 0.191 | 0.861 | 0.331 | 0.328 | 0.291 | 1.138 | 4.320 | -0.064 | NOT_TESTED | 15 | |
|
||||
| 6r72 | open | pass | P 1 21 1 | P 1 21 1 | 1.47 | 0.978 | 4.39 | 3.95 | -11.1% | 99.7 | 7.1 | 16.5% | 3.6% | 1.000 | 16.6 | - | - | 0.363 | 0.044 | 0.588 | 0.369 | 0.365 | 0.321 | 1.149 | 0.140 | -0.231 | NOT_TESTED | 18 | |
|
||||
| 6rlr | open | pass | P 1 | P 1 | 0.08 | 0.999 | 1.94 | 2.00 | +3.0% | 97.7 | 3.5 | 12.1% | 4.0% | 0.998 | 16.3 | - | - | 0.249 | 0.077 | 0.896 | 0.255 | 0.254 | 0.279 | 0.911 | 0.690 | -0.034 | NOT_TESTED | 10 | |
|
||||
| 6rym | open | pass | P 41 | P 43 | 0.06 | 0.998 | 1.45 | 1.46 | +0.5% | 79.7 | 3.9 | 4.2% | 4.1% | 0.998 | 22.8 | - | - | 0.170 | 0.246 | 0.940 | 0.190 | 0.183 | 0.184 | 1.033 | 14.380 | -0.009 | ACCEPTED | 9 | P 41 vs reference P 43 (hand only (needs anomalous)); labelled P 43 from the model |
|
||||
| 6s1u | open | pass | P 1 21 1 | P 1 21 1 | 0.13 | 1.002 | 1.76 | 1.90 | +7.4% | 95.3 | 3.8 | 22.2% | 5.7% | 0.991 | 13.4 | - | - | 0.201 | 0.107 | 0.950 | 0.199 | 0.210 | 0.235 | 0.847 | 0.590 | -0.005 | NOT_TESTED | 10 | |
|
||||
| 6toc | open | pass | P 42 2 2 | P 42 | 0.34 | 0.990 | 1.65 | 1.85 | +11.2% | 99.7 | 24.3 | 9.8% | 2.3% | 1.000 | 25.1 | - | - | 0.277 | 0.169 | 0.973 | 0.272 | 0.283 | 0.265 | 1.028 | 0.540 | 0.136 | ACCEPTED | 7 | P 42 2 2 vs reference P 42: accepted alternative P 42 2 2 - a knife-edge this battery does not decide |
|
||||
| 6ttn | open | pass | P 21 21 21 | P 21 21 21 | 0.13 | 1.000 | 1.05 | 1.12 | +6.2% | 96.4 | 11.3 | 10.4% | 4.6% | 0.999 | 14.5 | - | - | 0.134 | 0.088 | 0.975 | 0.143 | 0.140 | 0.146 | 0.982 | 8.310 | 0.092 | NOT_TESTED | 36 | |
|
||||
| 6u7g | open | pass | P 1 21 1 | P 1 21 1 | 0.09 | 1.002 | 1.89 | 2.35 | +19.7% | 79.3 | 3.3 | 7.7% | 4.1% | 0.998 | 13.5 | - | - | 0.197 | 0.102 | 0.920 | 0.200 | 0.203 | 0.218 | 0.916 | 1.590 | -0.102 | NOT_TESTED | 13 | |
|
||||
| 6ukf | open | pass | P 1 21 1 | P 1 21 1 | 0.07 | 1.000 | 0.95 | 1.00 | +5.3% | 90.3 | 7.1 | 9.8% | 5.8% | 0.998 | 9.9 | - | - | 0.164 | 0.016 | 0.959 | 0.159 | 0.165 | 0.166 | 0.958 | 2.380 | 0.036 | NOT_TESTED | 35 | |
|
||||
| 6v2r | open | pass | P 41 21 2 | P 41 21 2 | 0.03 | 1.000 | 1.38 | 1.60 | +13.6% | 92.5 | 11.3 | 5.2% | 2.9% | 1.000 | 24.6 | - | - | 0.205 | 0.221 | 0.945 | 0.209 | 0.230 | 0.235 | 0.889 | 12.720 | 0.009 | NOT_TESTED | 6 | |
|
||||
| 6vww | open | pass | P 63 | P 63 | 0.20 | 1.005 | 1.99 | 2.20 | +9.7% | 99.7 | 5.6 | 16.4% | 8.9% | 0.993 | 8.0 | - | - | 0.240 | 0.118 | 0.925 | 0.243 | 0.249 | 0.178 | 1.370 | 0.660 | 0.004 | NOT_TESTED | 12 | |
|
||||
| 6w4h | open | pass | P 31 2 1 | P 31 2 1 | 0.02 | 1.000 | 1.62 | 1.80 | +10.2% | 97.5 | 6.9 | 7.6% | 3.9% | 0.999 | 18.5 | - | - | 0.163 | 0.168 | 0.967 | 0.169 | 0.176 | 0.163 | 1.041 | 4.710 | -0.012 | ACCEPTED | 23 | |
|
||||
| 6w75 | open | pass | P 31 2 1 | P 32 2 1 | 0.02 | 1.000 | 1.69 | 1.95 | +13.6% | 99.7 | 10.5 | 11.9% | 4.7% | 0.999 | 15.9 | - | - | 0.175 | 0.169 | 0.957 | 0.187 | 0.187 | 0.174 | 1.073 | 3.650 | -0.017 | ACCEPTED | 25 | P 31 2 1 vs reference P 32 2 1 (hand only (needs anomalous)); labelled P 32 2 1 from the model |
|
||||
| 6wzo | open | pass | P 1 | P 1 | 0.05 | 0.999 | 1.04 | 1.42 | +26.4% | 68.3 | 3.8 | 6.1% | 3.6% | 0.999 | 16.9 | - | - | 0.174 | 0.123 | 0.958 | 0.175 | 0.176 | 0.173 | 1.011 | 2.780 | -0.007 | NOT_TESTED | 38 | |
|
||||
| 6yqf | open | pass | P 21 21 2 | P 21 21 2 | 0.67 | 1.018 | 3.15 | 3.33 | +5.3% | 99.4 | 5.0 | 56.8% | 11.4% | 0.994 | 5.4 | - | - | 0.454 | 0.189 | 0.875 | 0.504 | 0.467 | 0.367 | 1.372 | 0.290 | -0.235 | NOT_TESTED | 51 | |
|
||||
| 6z8o | open | pass | P 1 21 1 | P 1 21 1 | 0.61 | 1.016 | 2.16 | 2.20 | +1.8% | 88.1 | 3.6 | 19.0% | 5.4% | 0.995 | 14.5 | - | - | 0.284 | 0.063 | 0.899 | 0.289 | 0.287 | 0.275 | 1.054 | 1.190 | -0.055 | NOT_TESTED | 12 | |
|
||||
| 6z9g | open | pass | P 1 21 1 | P 1 21 1 | 0.25 | 1.002 | 1.62 | 1.76 | +8.1% | 83.7 | 4.3 | 15.9% | 5.9% | 0.995 | 10.7 | - | - | 0.217 | 0.093 | 0.961 | 0.219 | 0.220 | 0.240 | 0.912 | 2.390 | -0.077 | NOT_TESTED | 39 | |
|
||||
| 6ze4 | open | pass | P 21 21 21 | P 21 21 21 | 0.48 | 0.990 | 1.29 | 1.60 | +19.1% | 96.1 | 8.0 | 20.5% | 5.8% | 0.988 | 10.5 | - | - | 0.222 | 0.064 | 0.956 | 0.226 | 0.224 | 0.202 | 1.116 | 1.730 | -0.107 | NOT_TESTED | 36 | |
|
||||
| 6zqr | open | pass | P 4 | P 4 | 0.33 | 1.008 | 1.77 | 1.93 | +8.4% | 99.7 | 8.2 | 20.0% | 8.3% | 0.995 | 8.9 | - | - | 0.197 | 0.155 | 0.950 | 0.202 | 0.210 | 0.191 | 1.055 | 1.420 | -0.099 | ACCEPTED | 12 | |
|
||||
| 6zqy | open | pass | P 4 | P 4 | 0.12 | 0.997 | 1.69 | 1.85 | +8.9% | 98.5 | 7.8 | 22.0% | 5.5% | 0.994 | 13.0 | - | - | 0.209 | 0.146 | 0.950 | 0.217 | 0.222 | 0.196 | 1.105 | 1.440 | -0.087 | NOT_TESTED | 22 | |
|
||||
| 6zr0 | open | pass | P 4 | P 4 | 0.07 | 1.001 | 1.64 | 1.94 | +15.3% | 97.6 | 3.7 | 12.9% | 4.0% | 0.993 | 25.2 | - | - | 0.215 | 0.073 | 0.961 | 0.218 | 0.218 | 0.210 | 1.037 | 1.820 | 0.011 | ACCEPTED | 20 | |
|
||||
| 7arr | open | pass | P 1 | P 1 | 0.14 | 1.003 | 0.92 | 1.10 | +16.6% | 69.9 | 3.5 | 3.8% | 3.0% | 0.999 | 18.7 | - | - | 0.155 | 0.167 | 0.965 | 0.162 | 0.160 | 0.161 | 1.007 | -0.410 | -0.074 | ACCEPTED | 22 | |
|
||||
| 7atg | open | pass | P 21 21 21 | P 21 21 21 | 0.02 | 1.000 | 0.60 | 0.60 | +0.3% | 86.7 | 3.8 | 5.1% | 7.2% | 0.994 | 23.1 | - | - | 0.125 | 0.134 | 0.437 | 0.160 | 0.159 | 0.095 | 1.687 | 6.770 | -0.005 | NOT_TESTED | 29 | |
|
||||
| 7bgt | open | pass | P 1 | P 1 | 0.36 | 0.990 | 1.79 | 1.93 | +7.0% | 98.0 | 2.2 | 13.6% | 5.7% | 0.993 | 16.9 | - | - | 0.195 | 0.121 | 0.955 | 0.207 | 0.206 | 0.212 | 0.979 | 0.220 | -0.007 | NOT_TESTED | 11 | |
|
||||
| 7bgu | open | pass | P 1 | P 1 | 0.12 | 0.997 | 2.32 | 2.43 | +4.7% | 95.5 | 2.9 | 10.8% | 4.0% | 0.942 | 16.2 | - | - | 0.254 | 0.087 | 0.864 | 0.266 | 0.270 | 0.236 | 1.127 | -0.360 | -0.172 | NOT_TESTED | 8 | |
|
||||
| 7brr | open | pass | P 1 21 1 | P 1 21 1 | 0.13 | 0.998 | 1.24 | 1.35 | +7.9% | 96.7 | 6.3 | 6.7% | 3.8% | 0.999 | 16.4 | - | - | 0.192 | 0.088 | 0.962 | 0.190 | 0.195 | 0.197 | 0.965 | 3.080 | -0.044 | NOT_TESTED | 12 | |
|
||||
| 7d98 | open | pass | P 61 2 2 | P 61 2 2 | 0.16 | 1.002 | 3.31 | 3.60 | +8.2% | 97.5 | 13.8 | 30.9% | 5.2% | 0.997 | 15.5 | - | - | 0.284 | 0.057 | 0.784 | 0.311 | 0.287 | 0.286 | 1.086 | 0.690 | 0.006 | NOT_TESTED | 8 | |
|
||||
| 7dkp | open | pass | P 1 21 1 | P 1 21 1 | 0.14 | 1.004 | 1.20 | 1.45 | +17.0% | 69.6 | 7.4 | 12.2% | 4.6% | 0.998 | 26.5 | - | - | 0.159 | 0.119 | 0.969 | 0.163 | 0.165 | 0.160 | 1.014 | 2.710 | 0.016 | ACCEPTED | 19 | |
|
||||
| 7k1l | open | unscored | P 6 | P 63 | 0.28 | 0.995 | 1.91 | 2.25 | +15.2% | 98.9 | 6.5 | 16.2% | 8.3% | 0.994 | 9.9 | - | - | 0.260 | 0.100 | 0.909 | 0.268 | 0.268 | 0.192 | 1.401 | 0.800 | 0.094 | NOT_TESTED | 13 | P 6 vs reference P 63: the screw along c is undeterminable from these data (offered P 61 / P 65 / P 62 / P 64 / P 63) |
|
||||
| 7kcn | open | pass | P 41 2 2 | P 41 2 2 | 0.04 | 1.001 | 1.39 | 1.46 | +4.7% | 92.8 | 20.7 | 7.9% | 7.6% | 0.999 | 11.8 | - | - | 0.172 | 0.159 | 0.961 | 0.190 | 0.190 | 0.182 | 1.044 | 8.350 | -0.012 | NOT_TESTED | 17 | |
|
||||
| 7l6j | open | pass | I 41 3 2 | I 41 3 2 | 0.00 | 1.000 | 1.50 | 1.78 | +15.5% | 99.7 | 29.0 | 21.0% | 7.5% | 0.999 | 10.5 | - | - | 0.172 | 0.184 | 0.963 | 0.188 | 0.189 | 0.154 | 1.215 | 29.150 | -0.001 | NOT_TESTED | 32 | |
|
||||
| 7l84 | open | pass | P 41 21 2 | P 43 21 2 | 0.04 | 1.000 | 1.70 | 1.70 | +0.0% | 91.6 | 33.5 | 9.1% | 13.0% | 0.999 | 11.3 | - | - | 0.150 | 0.091 | 0.911 | 0.169 | 0.164 | 0.162 | 1.042 | 17.540 | -0.007 | ACCEPTED | 13 | P 41 21 2 vs reference P 43 21 2 (hand only (needs anomalous)); labelled P 43 21 2 from the model |
|
||||
| 7mzt | open | unscored | P 21 21 21 | P 21 21 2 | 0.63 | 0.997 | 3.18 | 4.07 | +22.0% | 99.6 | 9.9 | 406.2% | 35.9% | 0.977 | 3.9 | - | - | 0.413 | 0.108 | 0.522 | 0.417 | 0.418 | 0.372 | 1.121 | -0.140 | -0.019 | ACCEPTED | 33 | P 21 21 21 vs reference P 21 21 2: the screw along c is undeterminable from these data (offered P 21 21 2) |
|
||||
| 7n0i | open | pass | P 21 21 21 | P 21 21 21 | 0.28 | 0.993 | 1.64 | 2.20 | +25.6% | 99.7 | 6.6 | 14.0% | 5.6% | 0.998 | 10.5 | - | - | 0.267 | 0.270 | 0.920 | 0.292 | 0.293 | 0.271 | 1.077 | 0.610 | 0.057 | NOT_TESTED | 19 | |
|
||||
| 7n2s | open | pass | P 1 21 1 | P 1 21 1 | 0.04 | 0.999 | 2.56 | 2.37 | -8.1% | 97.6 | 3.4 | 58.6% | 7.1% | 0.927 | 14.5 | - | - | 0.301 | 0.122 | 0.820 | 0.316 | 0.312 | 0.311 | 1.015 | 0.110 | -0.024 | NOT_TESTED | 10 | |
|
||||
| 7orr | open | pass | I 2 3 | I 21 3 | 0.06 | 0.998 | 1.64 | 1.79 | +8.7% | 99.7 | 15.9 | 7.1% | 4.1% | 1.000 | 25.4 | - | - | 0.183 | 0.153 | 0.965 | 0.198 | 0.195 | 0.184 | 1.073 | 5.080 | 0.053 | ACCEPTED | 15 | I 2 3 vs reference I 21 3 (UNDECIDABLE from intensities) |
|
||||
| 7os3 | open | pass | P 21 21 21 | P 21 21 21 | 0.17 | 1.004 | 1.96 | 2.18 | +10.2% | 83.6 | 11.4 | 8.9% | 3.8% | 0.999 | 23.8 | - | - | 0.183 | 0.134 | 0.954 | 0.192 | 0.193 | 0.224 | 0.860 | 5.740 | -0.006 | NOT_TESTED | 22 | |
|
||||
| 7ou1 | open | pass | P 1 21 1 | P 1 21 1 | 0.05 | 1.000 | 1.39 | 1.65 | +15.6% | 86.7 | 3.3 | 15.7% | 7.7% | 0.991 | 9.0 | - | - | 0.202 | 0.105 | 0.956 | 0.209 | 0.210 | 0.222 | 0.945 | 1.480 | 0.085 | NOT_TESTED | 15 | |
|
||||
| 7ph1 | open | pass | I 2 2 2 | I 2 2 2 | 0.12 | 0.998 | 1.09 | 1.18 | +7.6% | 99.7 | 7.1 | 11.2% | 5.4% | 0.998 | 16.1 | - | - | 0.155 | 0.163 | 0.968 | 0.175 | 0.173 | 0.166 | 1.056 | 3.230 | 0.042 | NOT_TESTED | 46 | |
|
||||
| 7pq7 | open | pass | C 1 2 1 | C 1 2 1 | 0.30 | 0.992 | 1.39 | 1.55 | +10.6% | 98.6 | 3.7 | 6.6% | 4.4% | 0.998 | 13.6 | - | - | 0.188 | 0.194 | 0.946 | 0.215 | 0.210 | 0.200 | 1.072 | 2.280 | 0.009 | NOT_TESTED | 9 | |
|
||||
| 7q6j | open | pass | P 21 21 21 | P 21 21 21 | 0.40 | 0.995 | 2.00 | 2.20 | +8.9% | 99.7 | 7.3 | 14.5% | 5.4% | 0.998 | 10.0 | - | - | 0.224 | 0.123 | 0.946 | 0.234 | 0.238 | 0.236 | 0.991 | 1.400 | -0.010 | NOT_TESTED | 21 | |
|
||||
| 7qij | open | pass | P 21 21 21 | P 21 21 21 | 0.42 | 0.991 | 3.62 | 4.10 | +11.8% | 99.7 | 6.8 | 24.5% | 5.8% | 0.996 | 9.2 | - | - | 0.349 | 0.116 | 0.865 | 0.360 | 0.358 | 0.325 | 1.110 | 0.170 | 0.066 | NOT_TESTED | 57 | |
|
||||
| 7qis | open | pass | P 61 | P 61 | 0.06 | 0.999 | 1.76 | 1.83 | +4.0% | 99.6 | 9.2 | 21.2% | 6.3% | 0.997 | 17.2 | - | - | 0.166 | 0.199 | 0.964 | 0.193 | 0.192 | 0.189 | 1.024 | 1.410 | 0.056 | NOT_TESTED | 20 | |
|
||||
| 7raa | open | pass | P 41 21 2 | P 43 21 2 | 0.10 | 0.997 | 2.64 | 2.69 | +1.9% | 99.2 | 35.8 | 17.8% | 5.8% | 1.000 | 10.4 | - | - | 0.297 | 0.184 | 0.900 | 0.335 | 0.304 | 0.294 | 1.138 | 0.490 | -0.038 | ACCEPTED | 19 | P 41 21 2 vs reference P 43 21 2 (hand only (needs anomalous)); labelled P 43 21 2 from the model |
|
||||
| 7ris | open | pass | P 31 2 1 | P 32 2 1 | 0.07 | 1.000 | 1.51 | 1.72 | +12.2% | 96.1 | 17.9 | 10.1% | 3.3% | 1.000 | 30.9 | - | - | 0.189 | 0.039 | 0.961 | 0.189 | 0.190 | 0.201 | 0.940 | 2.200 | 0.006 | ACCEPTED | 17 | P 31 2 1 vs reference P 32 2 1 (hand only (needs anomalous)); labelled P 32 2 1 from the model |
|
||||
| 7rji | open | pass | R 3 2:H | H 3 2 | 0.12 | 1.003 | 1.47 | 1.71 | +14.2% | 99.3 | 28.3 | 15.6% | 8.9% | 0.999 | 7.8 | - | - | 0.208 | 0.083 | 0.945 | 0.197 | 0.211 | 0.224 | 0.877 | 6.800 | 0.084 | NOT_TESTED | 17 | |
|
||||
| 7t5t | open | pass | P 42 21 2 | P 42 21 2 | 0.06 | 0.999 | 1.24 | 1.35 | +8.1% | 98.5 | 12.6 | 6.5% | 4.4% | 0.999 | 16.5 | - | - | 0.163 | 0.249 | 0.960 | 0.193 | 0.189 | 0.168 | 1.147 | 11.250 | 0.024 | NOT_TESTED | 17 | |
|
||||
| 7tcd | open | pass | C 1 2 1 | C 1 2 1 | 0.26 | 1.004 | 1.67 | 1.70 | +1.9% | 70.8 | 7.2 | 8.8% | 4.3% | 0.999 | 18.0 | - | - | 0.191 | 0.213 | 0.957 | 0.212 | 0.208 | 0.252 | 0.840 | 1.110 | -0.057 | NOT_TESTED | 17 | |
|
||||
| 7yzx | open | pass | P 63 2 2 | P 63 2 2 | 0.24 | 0.994 | 1.87 | 1.90 | +1.6% | 99.7 | 14.2 | 20.4% | 6.1% | 0.998 | 10.5 | - | - | 0.211 | 0.109 | 0.952 | 0.214 | 0.215 | 0.229 | 0.935 | 1.410 | 0.021 | NOT_TESTED | 28 | |
|
||||
| 8a1a | open | pass | P 61 | P 65 | 0.26 | 0.992 | 1.91 | 2.05 | +7.0% | 99.7 | 42.5 | 52.5% | 8.2% | 0.998 | 19.2 | - | - | 0.177 | 0.030 | 0.962 | 0.179 | 0.178 | 0.185 | 0.967 | 1.790 | -0.005 | ACCEPTED | 52 | P 61 vs reference P 65 (hand only (needs anomalous)); labelled P 65 from the model |
|
||||
| 8agq | open | pass | C 1 2 1 | C 1 2 1 | 0.34 | 0.991 | 0.97 | 1.09 | +11.3% | 95.6 | 6.0 | 9.2% | 4.4% | 0.999 | 14.1 | - | - | 0.182 | 0.220 | 0.944 | 0.207 | 0.205 | 0.149 | 1.391 | 6.500 | -0.005 | NOT_TESTED | 14 | |
|
||||
| 8c3e | open | fail | P 6 2 2 | P 31 2 1 | 0.24 | 0.994 | 1.79 | 2.10 | +14.7% | 97.9 | 7.0 | 29.4% | 11.9% | 0.980 | 5.9 | - | - | 0.359 | 0.282 | 0.759 | 0.399 | 0.387 | 0.249 | 1.602 | 0.910 | -0.076 | ACCEPTED | 2 | P 6 2 2 vs reference P 31 2 1 |
|
||||
| 8dqb | open | pass | I 2 3 | I 2 3 | 0.08 | 0.998 | 2.04 | 2.50 | +18.3% | 97.3 | 10.2 | 14.3% | 4.4% | 0.996 | 22.1 | - | - | 0.230 | 0.113 | 0.939 | 0.237 | 0.243 | 0.239 | 0.991 | 3.070 | 0.006 | NOT_TESTED | 9 | |
|
||||
| 8dyz | open | pass | P 41 21 2 | P 43 21 2 | 0.08 | 0.999 | 1.14 | 1.27 | +10.4% | 64.2 | 3.8 | 3.1% | 2.4% | 0.999 | 37.8 | - | - | 0.120 | 0.046 | 0.973 | 0.121 | 0.122 | 0.133 | 0.907 | 4.220 | -0.050 | ACCEPTED | 9 | P 41 21 2 vs reference P 43 21 2 (hand only (needs anomalous)); labelled P 43 21 2 from the model |
|
||||
| 8dz7 | open | pass | P 21 21 21 | P 21 21 21 | 0.08 | 0.998 | 1.19 | 1.34 | +11.2% | 37.2 | 3.2 | 3.0% | 2.7% | 0.999 | 35.1 | - | - | 0.118 | 0.068 | 0.968 | 0.128 | 0.122 | 0.136 | 0.942 | 5.140 | -0.008 | NOT_TESTED | 8 | |
|
||||
| 8egn | open | pass | P 21 21 21 | P 21 21 21 | 0.12 | 1.002 | 1.63 | 1.95 | +16.6% | 91.3 | 5.4 | 6.5% | 3.8% | 0.999 | 21.7 | - | - | 0.198 | 0.141 | 0.950 | 0.211 | 0.204 | 0.219 | 0.961 | 2.510 | 0.013 | NOT_TESTED | 10 | |
|
||||
| 8iya | open | pass | C 1 2 1 | C 1 2 1 | 0.33 | 0.995 | 1.90 | 2.43 | +21.9% | 97.5 | 5.6 | 22.4% | 11.6% | 0.988 | 5.8 | - | - | 0.248 | 0.049 | 0.945 | 0.235 | 0.249 | 0.247 | 0.951 | 0.230 | 0.004 | NOT_TESTED | 7 | |
|
||||
| 8k1g | open | pass | I 4 2 2 | I 4 2 2 | 0.76 | 1.018 | 1.62 | 2.09 | +22.3% | 99.7 | 19.2 | 25.6% | 6.9% | 0.998 | 11.6 | - | - | 0.206 | 0.188 | 0.957 | 0.225 | 0.225 | 0.207 | 1.085 | 2.240 | -0.109 | NOT_TESTED | 22 | |
|
||||
| 8oic | open | pass | P 1 | P 1 | 0.03 | 1.000 | 2.34 | 2.80 | +16.4% | 98.2 | 3.6 | 24.7% | 4.7% | 0.988 | 19.3 | - | - | 0.238 | 0.113 | 0.933 | 0.248 | 0.246 | 0.251 | 0.988 | 0.410 | 0.054 | NOT_TESTED | 22 | |
|
||||
| 8owm | open | pass | P 1 | P 1 | 0.06 | 0.999 | 1.50 | 1.70 | +12.0% | 96.4 | 3.6 | 10.8% | 3.5% | 0.998 | 21.1 | - | - | 0.164 | 0.104 | 0.971 | 0.174 | 0.172 | 0.172 | 1.011 | 1.320 | 0.046 | NOT_TESTED | 43 | |
|
||||
| 8pqd | open | pass | P 21 21 21 | P 21 21 21 | 0.06 | 1.000 | 1.31 | 1.50 | +12.4% | 95.1 | 13.5 | 8.9% | 5.5% | 0.999 | 14.6 | - | - | 0.184 | 0.197 | 0.961 | 0.204 | 0.199 | 0.194 | 1.048 | 3.530 | 0.038 | NOT_TESTED | 41 | |
|
||||
| 8qaw | open | pass | R 3:H | H 3 | 0.06 | 0.998 | 1.30 | 1.55 | +15.9% | 99.4 | 10.0 | 12.3% | 7.7% | 0.998 | 10.8 | - | - | 0.142 | 0.176 | 0.958 | 0.155 | 0.159 | 0.161 | 0.963 | 11.320 | 0.018 | ACCEPTED | 108 | |
|
||||
| 8qj5 | open | pass | P 1 21 1 | P 1 21 1 | 0.51 | 0.986 | 1.43 | 1.63 | +12.5% | 99.5 | 6.5 | 16.5% | 7.6% | 0.996 | 8.3 | - | - | 0.181 | 0.126 | 0.953 | 0.197 | 0.195 | 0.190 | 1.036 | 1.410 | 0.021 | NOT_TESTED | 14 | |
|
||||
| 8qq7 | open | pass | P 62 2 2 | P 64 2 2 | 0.61 | 1.018 | 3.15 | 3.62 | +12.8% | 99.5 | 24.9 | 20.0% | 11.6% | 0.998 | 6.0 | - | - | 0.399 | 0.379 | 0.357 | 0.402 | 0.405 | 0.320 | 1.256 | 0.660 | -0.110 | ACCEPTED | 9 | P 62 2 2 vs reference P 64 2 2 (hand only (needs anomalous)); labelled P 64 2 2 from the model |
|
||||
| 8r5r | open | pass | P 21 21 21 | P 21 21 21 | 0.16 | 1.002 | 2.79 | 3.08 | +9.4% | 99.7 | 10.1 | 27.4% | 4.7% | 0.997 | 18.9 | - | - | 0.264 | 0.156 | 0.880 | 0.287 | 0.277 | 0.252 | 1.141 | 0.310 | -0.023 | NOT_TESTED | 15 | |
|
||||
| 8rud | open | pass | P 1 21 1 | P 1 21 1 | 0.42 | 0.988 | 1.65 | 2.10 | +21.4% | 99.7 | 6.6 | 32.2% | 6.3% | 0.992 | 12.4 | - | - | 0.247 | 0.091 | 0.903 | 0.256 | 0.253 | 0.262 | 0.977 | 0.770 | 0.048 | NOT_TESTED | 42 | |
|
||||
| 8s38 | open | pass | I 2 2 2 | I 21 21 21 | 0.17 | 0.995 | 1.64 | 1.89 | +13.3% | 99.6 | 6.7 | 8.7% | 3.4% | 0.999 | 22.5 | - | - | 0.179 | 0.143 | 0.962 | 0.185 | 0.187 | 0.187 | 0.988 | 2.300 | 0.025 | NOT_TESTED | 32 | I 2 2 2 vs reference I 21 21 21 (UNDECIDABLE from intensities) |
|
||||
| 8sa8 | open | pass | I 1 2 1 | I 1 2 1 | 0.01 | 1.000 | 1.11 | 1.30 | +14.5% | 86.5 | 7.2 | 11.8% | 3.7% | 0.999 | 21.7 | - | - | 0.155 | 0.148 | 0.971 | 0.170 | 0.171 | 0.152 | 1.116 | 3.790 | 0.045 | ACCEPTED | 45 | |
|
||||
| 8sqo | open | pass | P 4 3 2 | P 4 3 2 | 0.15 | 0.995 | 1.31 | 1.55 | +15.2% | 99.7 | 69.7 | 25.2% | 6.1% | 1.000 | 13.9 | - | - | 0.185 | 0.113 | 0.958 | 0.200 | 0.193 | 0.177 | 1.129 | 6.550 | 0.031 | NOT_TESTED | 18 | |
|
||||
| 8sqq | open | pass | F 4 3 2 | F 4 3 2 | 0.18 | 0.995 | 1.90 | 2.25 | +15.6% | 99.6 | 39.2 | 25.2% | 5.3% | 0.999 | 17.8 | - | - | 0.211 | 0.109 | 0.963 | 0.206 | 0.218 | 0.245 | 0.840 | 3.170 | 0.016 | NOT_TESTED | 52 | |
|
||||
| 8sqt | open | pass | F 4 3 2 | F 4 3 2 | 0.10 | 0.997 | 1.83 | 2.20 | +16.8% | 99.7 | 38.9 | 21.0% | 4.3% | 1.000 | 24.1 | - | - | 0.222 | 0.147 | 0.968 | 0.225 | 0.233 | 0.262 | 0.858 | 2.880 | 0.026 | NOT_TESTED | 23 | |
|
||||
| 8t7r | open | pass | C 1 2 1 | C 1 2 1 | 0.39 | 0.989 | 3.30 | 3.84 | +14.0% | 99.1 | 4.0 | 32.7% | 7.0% | 0.985 | 10.2 | - | - | 0.281 | 0.098 | 0.819 | 0.285 | 0.291 | 0.263 | 1.088 | 0.370 | 0.032 | NOT_TESTED | 39 | |
|
||||
| 8tha | open | pass | P 62 | P 64 | 0.20 | 0.994 | 1.34 | 1.68 | +20.2% | 99.3 | 19.3 | 15.8% | 3.3% | 0.999 | 26.4 | - | - | 0.209 | 0.094 | 0.961 | 0.218 | 0.215 | 0.215 | 1.016 | 4.300 | 0.042 | ACCEPTED | 13 | P 62 vs reference P 64 (hand only (needs anomalous)); labelled P 64 from the model |
|
||||
| 8tyy | open | pass | F 4 3 2 | F 4 3 2 | 0.02 | 1.001 | 1.27 | 1.68 | +24.3% | 97.4 | 38.1 | 17.1% | 5.2% | 0.999 | 16.1 | - | - | 0.161 | 0.150 | 0.971 | 0.177 | 0.173 | 0.163 | 1.089 | 13.310 | 0.004 | NOT_TESTED | 90 | |
|
||||
| 8u0i | open | pass | P 41 21 2 | P 43 21 2 | 0.08 | 1.000 | 1.38 | 1.54 | +10.3% | 98.3 | 11.0 | 8.3% | 3.5% | 0.999 | 16.4 | - | - | 0.179 | 0.055 | 0.963 | 0.182 | 0.182 | 0.210 | 0.868 | 3.400 | 0.023 | ACCEPTED | 14 | P 41 21 2 vs reference P 43 21 2 (hand only (needs anomalous)); labelled P 43 21 2 from the model |
|
||||
| 8v2t | open | pass | P 42 21 2 | P 42 21 2 | 0.20 | 1.006 | 1.15 | 1.40 | +17.8% | 87.7 | 9.8 | 8.0% | 4.9% | 0.999 | 12.3 | - | - | 0.167 | 0.210 | 0.969 | 0.180 | 0.179 | 0.163 | 1.105 | 10.970 | 0.025 | NOT_TESTED | 14 | |
|
||||
| 8v4j | open | pass | P 42 21 2 | P 42 21 2 | 0.09 | 0.998 | 1.10 | 1.31 | +16.0% | 89.8 | 11.4 | 5.5% | 3.1% | 1.000 | 21.8 | - | - | 0.170 | 0.109 | 0.965 | 0.176 | 0.175 | 0.172 | 1.023 | 12.360 | 0.009 | NOT_TESTED | 17 | |
|
||||
| 8v4o | open | pass | P 61 2 2 | P 61 2 2 | 0.06 | 0.999 | 2.12 | 2.70 | +21.7% | 99.7 | 20.4 | 30.8% | 5.9% | 0.998 | 15.4 | - | - | 0.235 | 0.151 | 0.929 | 0.251 | 0.252 | 0.240 | 1.046 | 0.970 | 0.053 | NOT_TESTED | 29 | |
|
||||
| 8xbp | open | pass | C 1 2 1 | C 1 2 1 | 0.19 | 0.999 | 1.68 | 1.99 | +15.4% | 83.5 | 6.7 | 11.0% | 4.0% | 0.999 | 18.8 | - | - | 0.312 | 0.194 | 0.891 | 0.330 | 0.322 | 0.288 | 1.146 | 1.160 | 0.235 | NOT_TESTED | 24 | |
|
||||
| 8xte | open | pass | P 31 2 1 | P 32 | 0.07 | 1.002 | 1.64 | 1.99 | +17.6% | 99.5 | 9.4 | 25.1% | 7.8% | 0.996 | 12.4 | - | - | 0.275 | 0.128 | 0.913 | 0.287 | 0.284 | 0.219 | 1.309 | 0.950 | 0.039 | NOT_TESTED | 29 | P 31 2 1 vs reference P 32: accepted alternative P 31 2 1 - a knife-edge this battery does not decide |
|
||||
| 8xtf | open | pass | R 3 2:H | H 3 2 | 0.23 | 1.006 | 1.84 | 2.13 | +13.8% | 99.6 | 20.1 | 82.2% | 17.7% | 0.988 | 7.7 | - | - | 0.193 | 0.040 | 0.964 | 0.186 | 0.194 | 0.210 | 0.887 | 1.450 | -0.016 | NOT_TESTED | 52 | |
|
||||
| 8xtg | open | pass | P 31 2 1 | P 32 | 0.05 | 1.001 | 1.55 | 2.00 | +22.5% | 99.7 | 10.0 | 26.7% | 10.1% | 0.994 | 7.6 | - | - | 0.273 | 0.152 | 0.901 | 0.287 | 0.286 | 0.211 | 1.357 | 0.880 | 0.037 | ACCEPTED | 28 | P 31 2 1 vs reference P 32: accepted alternative P 31 2 1 - a knife-edge this battery does not decide |
|
||||
| 8y74 | open | pass | C 1 2 1 | C 1 2 1 | 0.36 | 0.992 | 1.69 | 1.90 | +11.2% | 97.7 | 6.2 | 13.0% | 7.7% | 0.997 | 8.8 | - | - | 0.214 | 0.099 | 0.938 | 0.224 | 0.220 | 0.240 | 0.933 | 1.210 | -0.028 | NOT_TESTED | 7 | |
|
||||
| 8ys9 | open | pass | P 21 21 21 | P 21 21 21 | 0.20 | 0.998 | 1.31 | 1.46 | +10.2% | 99.7 | 13.4 | 13.2% | 4.6% | 0.999 | 15.3 | - | - | 0.176 | 0.107 | 0.961 | 0.189 | 0.183 | 0.197 | 0.958 | 3.110 | 0.096 | NOT_TESTED | 20 | |
|
||||
| 9b22 | open | pass | P 1 21 1 | P 1 21 1 | 0.07 | 1.002 | 1.14 | 1.30 | +12.1% | 77.1 | 6.1 | 6.2% | 3.5% | 0.999 | 16.4 | - | - | 0.159 | 0.103 | 0.968 | 0.165 | 0.163 | 0.164 | 1.008 | 0.060 | -0.040 | ACCEPTED | 12 | |
|
||||
| 9bn8 | open | pass | P 41 | P 41 | 0.10 | 0.997 | 1.19 | 1.35 | +11.7% | 93.8 | 11.5 | 8.0% | 3.9% | 1.000 | 19.8 | - | - | 0.151 | 0.126 | 0.967 | 0.162 | 0.159 | 0.158 | 1.025 | 3.800 | 0.019 | ACCEPTED | 15 | |
|
||||
| 9c18 | open | pass | P 1 | P 1 | 0.74 | 0.984 | 1.74 | 1.90 | +8.6% | 97.5 | 3.6 | 26.1% | 8.6% | 0.988 | 10.5 | - | - | 0.219 | 0.071 | 0.945 | 0.219 | 0.223 | 0.229 | 0.957 | 0.730 | -0.019 | ACCEPTED | 6 | |
|
||||
| 9chw | open | pass | P 61 | P 61 | 0.04 | 1.001 | 1.60 | 2.16 | +25.9% | 72.5 | 3.1 | 5.7% | 3.3% | 0.998 | 21.2 | - | - | 0.180 | 0.139 | 0.962 | 0.184 | 0.186 | 0.210 | 0.878 | 1.750 | -0.008 | NOT_TESTED | 22 | |
|
||||
| 9crw | open | pass | P 1 21 1 | P 1 21 1 | 0.24 | 0.994 | 2.28 | 2.49 | +8.3% | 97.3 | 7.0 | 8.7% | 3.7% | 0.999 | 15.4 | - | - | 0.247 | 0.122 | 0.954 | 0.265 | 0.261 | 0.278 | 0.954 | 0.680 | -0.019 | NOT_TESTED | 11 | |
|
||||
| 9e2t | open | pass | P 1 | P 1 | 0.10 | 0.999 | 2.35 | 2.28 | -3.3% | 91.6 | 5.7 | 29.2% | 7.2% | 0.991 | 6.6 | - | - | 0.229 | 0.052 | 0.929 | 0.232 | 0.233 | 0.242 | 0.958 | 0.380 | -0.016 | NOT_TESTED | 48 | |
|
||||
| 9ea5 | open | pass | P 1 21 1 | P 1 21 1 | 0.11 | 0.997 | 1.66 | 2.00 | +16.8% | 92.3 | 6.7 | 18.0% | 4.3% | 0.997 | 26.7 | - | - | 0.195 | 0.107 | 0.953 | 0.201 | 0.204 | 0.207 | 0.972 | 1.210 | 0.041 | ACCEPTED | 16 | |
|
||||
| 9fcf | open | pass | P 4 | P 4 | 0.21 | 1.001 | 1.78 | 2.36 | +24.7% | 99.7 | 12.8 | 34.9% | 10.3% | 0.995 | 7.1 | - | - | 0.285 | 0.075 | 0.921 | 0.292 | 0.288 | 0.257 | 1.136 | 0.790 | 0.025 | NOT_TESTED | 39 | |
|
||||
| 9fcg | open | pass | P 4 | P 4 | 0.08 | 1.000 | 1.38 | 1.54 | +10.1% | 89.9 | 11.4 | 14.6% | 8.4% | 0.997 | 9.5 | - | - | 0.180 | 0.112 | 0.956 | 0.189 | 0.191 | 0.198 | 0.954 | 2.350 | 0.062 | NOT_TESTED | 36 | |
|
||||
| 9fhc | open | pass | I 2 3 | I 2 3 | 0.27 | 0.992 | 1.89 | 2.20 | +14.0% | 94.2 | 17.5 | 16.7% | 4.7% | 0.999 | 11.9 | - | - | 0.239 | 0.100 | 0.914 | 0.246 | 0.245 | 0.238 | 1.034 | 1.360 | -0.021 | ACCEPTED | 31 | |
|
||||
| 9gdj | open | pass | P 41 21 2 | P 41 21 2 | 0.04 | 0.999 | 1.39 | 1.47 | +5.3% | 99.7 | 13.1 | 11.4% | 6.1% | 0.999 | 12.9 | - | - | 0.154 | 0.193 | 0.967 | 0.171 | 0.175 | 0.175 | 0.977 | 2.890 | -0.016 | NOT_TESTED | 102 | |
|
||||
| 9gjx | open | pass | P 1 21 1 | P 1 21 1 | 0.16 | 0.996 | 2.07 | 2.40 | +13.8% | 96.6 | 6.7 | 16.2% | 3.1% | 0.997 | 39.2 | - | - | 0.192 | 0.149 | 0.951 | 0.225 | 0.216 | 0.219 | 1.024 | 0.800 | -0.024 | NOT_TESTED | 17 | |
|
||||
| 9gqg | open | pass | P 31 2 1 | P 32 2 1 | 0.01 | 1.000 | 1.82 | 2.00 | +8.8% | 99.8 | 7.7 | 12.3% | 6.6% | 0.998 | 11.9 | - | - | 0.233 | 0.147 | 0.917 | 0.250 | 0.249 | 0.261 | 0.958 | 1.260 | 0.045 | ACCEPTED | 13 | P 31 2 1 vs reference P 32 2 1 (hand only (needs anomalous)); labelled P 32 2 1 from the model |
|
||||
| 9h0q | open | pass | R 3 2:H | H 3 2 | 0.42 | 0.990 | 2.11 | 2.55 | +17.2% | 99.7 | 10.7 | 17.0% | 4.5% | 0.998 | 18.2 | - | - | 0.206 | 0.123 | 0.933 | 0.218 | 0.223 | 0.222 | 0.982 | 1.160 | -0.022 | NOT_TESTED | 29 | |
|
||||
| 9hnc | open | fail | P 1 21 1 | P 1 2 1 | 0.07 | 0.999 | 1.64 | 1.88 | +13.0% | 91.0 | 7.0 | 12.8% | 5.3% | 0.998 | 13.6 | - | - | 0.245 | 0.151 | 0.947 | 0.254 | 0.253 | 0.211 | 1.204 | 0.880 | -0.234 | NOT_TESTED | 29 | P 1 21 1 vs reference P 1 2 1 |
|
||||
| 9hs7 | open | pass | P 61 | P 65 | 0.12 | 0.998 | 1.66 | 1.70 | +2.4% | 99.7 | 10.2 | 11.8% | 5.1% | 0.999 | 11.5 | - | - | 0.210 | 0.360 | 0.966 | 0.242 | 0.232 | 0.239 | 1.013 | 1.220 | -0.084 | ACCEPTED | 19 | P 61 vs reference P 65 (hand only (needs anomalous)); labelled P 65 from the model |
|
||||
| 9i0a | open | pass | P 21 21 2 | P 21 21 2 | 0.36 | 1.008 | 1.80 | 2.22 | +19.0% | 98.8 | 12.7 | 20.8% | 5.7% | 0.998 | 11.5 | - | - | 0.229 | 0.058 | 0.957 | 0.233 | 0.235 | 0.237 | 0.985 | 0.910 | 0.143 | NOT_TESTED | 43 | |
|
||||
| 9i80 | open | pass | P 41 | P 41 | 0.11 | 1.002 | 1.59 | 1.95 | +18.4% | 99.7 | 13.3 | 24.5% | 10.5% | 0.992 | 6.8 | - | - | 0.217 | 0.132 | 0.875 | 0.221 | 0.225 | 0.203 | 1.089 | 1.900 | 0.001 | NOT_TESTED | 36 | |
|
||||
| 9ig7 | open | pass | P 21 21 2 | P 21 21 2 | 0.21 | 0.995 | 2.02 | 2.60 | +22.4% | 99.7 | 13.8 | 21.2% | 7.3% | 0.992 | 11.0 | - | - | 0.231 | 0.084 | 0.931 | 0.247 | 0.237 | 0.259 | 0.954 | 0.860 | 0.017 | NOT_TESTED | 63 | |
|
||||
| 9ih9 | open | pass | C 1 2 1 | C 1 2 1 | 0.21 | 0.997 | 1.40 | 1.70 | +17.8% | 95.9 | 2.4 | 11.2% | 5.0% | 0.996 | 12.7 | - | - | 0.199 | 0.071 | 0.952 | 0.206 | 0.204 | 0.203 | 1.018 | 1.020 | -0.020 | NOT_TESTED | 14 | |
|
||||
| 9jq9 | open | pass | P 21 21 21 | P 21 21 21 | 0.17 | 0.996 | 1.65 | 1.90 | +13.2% | 84.9 | 10.7 | 6.9% | 4.3% | 0.999 | 19.2 | - | - | 0.212 | 0.146 | 0.937 | 0.241 | 0.222 | 0.237 | 1.019 | 4.730 | -0.008 | NOT_TESTED | 5 | |
|
||||
| 9jzo | open | pass | P 1 | P 1 | 0.14 | 0.996 | 1.15 | 1.40 | +18.0% | 61.2 | 3.3 | 5.5% | 4.2% | 0.997 | 8.3 | - | - | 0.181 | 0.037 | 0.958 | 0.178 | 0.181 | 0.195 | 0.917 | 4.430 | 0.022 | NOT_TESTED | 13 | |
|
||||
| 9khr | open | pass | P 21 21 21 | P 21 21 21 | 0.14 | 0.998 | 1.40 | 2.00 | +29.8% | 97.8 | 6.6 | 18.7% | 11.8% | 0.994 | 9.1 | - | - | 0.241 | 0.126 | 0.941 | 0.258 | 0.253 | 0.235 | 1.101 | 2.020 | 0.037 | NOT_TESTED | 11 | |
|
||||
| 9lxl | open | pass | P 41 21 2 | P 41 21 2 | 0.62 | 1.015 | 2.08 | 2.19 | +5.2% | 99.7 | 14.7 | 42.1% | 10.1% | 0.997 | 6.2 | - | - | 0.300 | 0.092 | 0.896 | 0.313 | 0.298 | 0.234 | 1.340 | 0.760 | -0.275 | NOT_TESTED | 18 | |
|
||||
| 9mh4 | open | pass | P 21 3 | P 21 3 | 0.31 | 0.991 | 2.78 | 3.05 | +8.7% | 99.7 | 40.5 | 20.0% | 4.9% | 1.000 | 13.8 | - | - | 0.227 | 0.168 | 0.916 | 0.234 | 0.236 | 0.215 | 1.089 | 1.000 | 0.006 | NOT_TESTED | 14 | |
|
||||
| 9min | open | pass | P 21 21 21 | P 21 21 21 | 0.52 | 0.986 | 1.95 | 2.05 | +5.0% | 99.5 | 16.6 | 35.6% | 8.4% | 0.997 | 10.1 | - | - | 0.269 | 0.082 | 0.935 | 0.275 | 0.274 | 0.267 | 1.028 | 0.920 | -0.023 | NOT_TESTED | 73 | |
|
||||
| 9o0h | open | pass | P 21 21 21 | P 21 21 21 | 0.34 | 0.991 | 2.01 | 2.24 | +10.1% | 99.6 | 12.7 | 67.7% | 13.5% | 0.985 | 5.4 | - | - | 0.241 | 0.070 | 0.944 | 0.251 | 0.245 | 0.249 | 1.008 | 0.330 | 0.040 | NOT_TESTED | 46 | |
|
||||
| 9p7q | open | pass | C 1 2 1 | C 1 2 1 | 0.13 | 1.003 | 1.78 | 2.21 | +19.5% | 90.1 | 2.7 | 29.5% | 9.1% | 0.986 | 10.8 | - | - | 0.268 | 0.052 | 0.948 | 0.281 | 0.270 | 0.259 | 1.088 | 0.720 | -0.034 | NOT_TESTED | 9 | |
|
||||
| 9pbb | open | pass | C 1 2 1 | C 1 2 1 | 0.15 | 0.997 | 1.80 | 2.17 | +17.1% | 76.8 | 2.5 | 21.6% | 6.9% | 0.994 | 15.9 | - | - | 0.231 | 0.043 | 0.974 | 0.234 | 0.233 | 0.223 | 1.048 | 0.410 | -0.093 | NOT_TESTED | 11 | |
|
||||
| 9q41 | open | pass | C 2 2 21 | C 2 2 21 | 0.21 | 1.003 | 1.68 | 1.95 | +14.1% | 99.7 | 6.8 | 31.7% | 13.3% | 0.982 | 7.5 | - | - | 0.192 | 0.043 | 0.961 | 0.192 | 0.194 | 0.213 | 0.903 | 0.350 | 0.053 | NOT_TESTED | 15 | |
|
||||
| 9q66 | open | pass | P 1 21 1 | P 1 21 1 | 0.39 | 0.989 | 2.07 | 2.01 | -2.8% | 99.7 | 7.1 | 30.9% | 8.1% | 0.990 | 13.0 | - | - | 0.201 | 0.084 | 0.903 | 0.214 | 0.213 | 0.266 | 0.804 | 0.660 | -0.024 | NOT_TESTED | 18 | |
|
||||
| 9qvv | open | pass | I 2 2 2 | I 2 2 2 | 0.08 | 1.001 | 2.53 | 2.72 | +7.1% | 89.4 | 13.8 | 10.8% | 2.2% | 1.000 | 38.1 | - | - | 0.247 | 0.229 | 0.864 | 0.251 | 0.264 | 0.279 | 0.897 | 1.660 | -0.034 | NOT_TESTED | 16 | |
|
||||
| 9qw2 | open | pass | P 1 21 1 | P 1 21 1 | 0.62 | 0.996 | 1.82 | 1.92 | +5.2% | 99.7 | 3.6 | 22.3% | 7.5% | 0.960 | 6.4 | - | - | 0.243 | 0.046 | 0.907 | 0.253 | 0.247 | 0.212 | 1.192 | 0.120 | -0.325 | ACCEPTED | 21 | |
|
||||
| 9qw8 | open | pass | P 1 | P 1 | 0.67 | 0.993 | 1.69 | 1.80 | +6.2% | 97.3 | 3.4 | 27.0% | 12.2% | 0.975 | 5.2 | - | - | 0.323 | 0.142 | 0.832 | 0.330 | 0.331 | 0.243 | 1.357 | 0.320 | -0.422 | ACCEPTED | 33 | |
|
||||
| 9rci | open | pass | P 1 | P 1 | 0.33 | 0.995 | 1.69 | 1.66 | -1.9% | 96.9 | 3.5 | 21.3% | 8.3% | 0.988 | 7.5 | - | - | 0.264 | 0.087 | 0.875 | 0.270 | 0.271 | 0.283 | 0.952 | 0.320 | -0.129 | ACCEPTED | 12 | |
|
||||
| 9rcs | open | pass | P 1 21 1 | P 1 21 1 | 0.85 | 1.020 | 3.28 | 3.01 | -8.9% | 99.8 | 7.0 | 23.1% | 9.7% | 0.995 | 7.4 | - | - | 0.318 | 0.117 | 0.500 | 0.342 | 0.325 | 0.317 | 1.078 | 0.450 | -0.211 | ACCEPTED | 11 | |
|
||||
| 9rp9 | open | pass | C 1 2 1 | C 1 2 1 | 0.25 | 0.994 | 1.96 | 2.10 | +6.9% | 99.7 | 6.2 | 16.4% | 4.7% | 0.998 | 28.6 | - | - | 0.202 | 0.125 | 0.928 | 0.234 | 0.227 | 0.222 | 1.055 | 2.310 | 0.052 | NOT_TESTED | 12 | |
|
||||
| 9s02 | open | pass | P 21 21 2 | P 21 21 2 | 0.09 | 0.998 | 1.43 | 1.65 | +13.3% | 98.9 | 12.5 | 10.5% | 3.3% | 0.999 | 25.6 | - | - | 0.180 | 0.090 | 0.961 | 0.186 | 0.187 | 0.193 | 0.966 | 2.260 | 0.038 | ACCEPTED | 25 | |
|
||||
| 9sl0 | open | pass | P 21 21 21 | P 21 21 21 | 0.39 | 0.991 | 1.37 | 1.60 | +14.6% | 99.4 | 12.4 | 8.0% | 3.7% | 1.000 | 20.0 | - | - | 0.245 | 0.150 | 0.912 | 0.254 | 0.255 | 0.264 | 0.963 | 2.230 | 0.003 | NOT_TESTED | 33 | |
|
||||
| 9t6s | open | pass | P 21 21 21 | P 21 21 21 | 0.41 | 0.989 | 1.75 | 2.00 | +12.6% | 96.0 | 5.2 | 10.9% | 3.6% | 0.999 | 28.4 | - | - | 0.215 | 0.030 | 0.969 | 0.231 | 0.216 | 0.241 | 0.955 | 2.440 | 0.086 | NOT_TESTED | 17 | |
|
||||
| 9upt | open | pass | P 6 | P 6 | 0.20 | 0.994 | 2.03 | 2.37 | +14.4% | 99.7 | 5.7 | 24.4% | 10.8% | 0.989 | 6.5 | - | - | 0.218 | 0.088 | 0.942 | 0.218 | 0.225 | 0.215 | 1.016 | 1.320 | -0.046 | NOT_TESTED | 16 | |
|
||||
| 9v16 | open | pass | P 41 21 2 | P 41 21 2 | 0.20 | 0.998 | 2.91 | 3.45 | +15.8% | 99.7 | 13.9 | 33.0% | 4.8% | 0.997 | 15.2 | - | - | 0.262 | 0.079 | 0.878 | 0.268 | 0.268 | 0.235 | 1.140 | 0.380 | 0.082 | NOT_TESTED | 41 | |
|
||||
| 9vyb | open | pass | P 21 21 21 | P 21 21 21 | 0.41 | 0.988 | 1.67 | 2.12 | +21.1% | 87.4 | 10.1 | 8.2% | 3.5% | 1.000 | 22.2 | - | - | 0.247 | 0.070 | 0.934 | 0.254 | 0.249 | 0.269 | 0.941 | 0.410 | 0.008 | NOT_TESTED | 28 | |
|
||||
| 9w3y | open | pass | P 21 21 21 | P 21 21 21 | 0.33 | 1.004 | 1.22 | 1.50 | +18.9% | 99.7 | 6.7 | 24.3% | 5.2% | 0.997 | 18.6 | - | - | 0.185 | 0.087 | 0.973 | 0.196 | 0.195 | 0.198 | 0.990 | 4.900 | 0.042 | NOT_TESTED | 9 | |
|
||||
| 9yl4 | open | pass | P 21 21 21 | P 21 21 21 | 0.07 | 1.000 | 3.61 | 3.70 | +2.5% | 99.7 | 13.4 | 31.0% | 9.2% | 0.997 | 9.8 | - | - | 0.293 | 0.063 | 0.882 | 0.302 | 0.297 | 0.283 | 1.066 | 5.780 | -0.019 | NOT_TESTED | 19 | |
|
||||
| 9yzk | open | pass | I 1 2 1 | I 1 2 1 | 0.26 | 0.996 | 3.87 | 5.10 | +24.2% | 98.6 | 3.3 | 31.9% | 4.0% | 0.999 | 8.8 | - | - | 0.323 | 0.123 | 0.919 | 0.331 | 0.326 | 0.304 | 1.090 | 0.110 | 0.043 | ACCEPTED | 9 | |
|
||||
| 9z44 | open | pass | I 1 2 1 | I 1 2 1 | 1.25 | 0.965 | 6.78 | 7.20 | +5.8% | 98.4 | 3.3 | 21.8% | 9.1% | 0.974 | 9.5 | - | - | 0.333 | 0.095 | 0.822 | 0.326 | 0.336 | 0.345 | 0.943 | 0.020 | 0.059 | ACCEPTED | 15 | |
|
||||
| 9z72 | open | pass | P 31 2 1 | P 31 2 1 | 0.14 | 1.004 | 2.00 | 2.38 | +16.0% | 99.7 | 9.8 | 93.0% | 11.5% | 0.988 | 14.9 | - | - | 0.241 | 0.040 | 0.914 | 0.256 | 0.244 | 0.269 | 0.950 | 0.680 | 0.032 | NOT_TESTED | 32 | |
|
||||
| 9zlo | open | pass | P 21 21 21 | P 21 21 21 | 0.26 | 0.996 | 1.56 | 2.00 | +21.8% | 99.6 | 12.7 | 12.0% | 3.9% | 0.999 | 23.5 | - | - | 0.221 | 0.065 | 0.942 | 0.230 | 0.226 | 0.219 | 1.051 | 1.730 | -0.024 | NOT_TESTED | 15 | |
|
||||
| 9zm0 | open | pass | P 1 21 1 | P 1 21 1 | 0.70 | 0.983 | 1.79 | 2.10 | +14.7% | 99.7 | 6.5 | 24.1% | 10.0% | 0.996 | 8.9 | - | - | 0.256 | 0.080 | 0.956 | 0.276 | 0.258 | 0.298 | 0.926 | 4.660 | -0.028 | NOT_TESTED | 6 | |
|
||||
| 9zmu | open | pass | P 61 2 2 | P 65 2 2 | 0.07 | 1.001 | 1.72 | 1.98 | +13.2% | 99.7 | 29.5 | 29.8% | 6.9% | 0.999 | 11.3 | - | - | 0.277 | 0.151 | 0.894 | 0.282 | 0.288 | 0.294 | 0.961 | 1.230 | 0.011 | ACCEPTED | 24 | P 61 2 2 vs reference P 65 2 2 (hand only (needs anomalous)); labelled P 65 2 2 from the model |
|
||||
| cuhf2 | open | unscored | P 4 2 2 | - | - | - | 0.51 | - | - | 82.1 | 13.9 | 2.8% | 2.1% | 1.000 | 44.3 | - | - | - | - | - | - | - | - | - | - | - | - | 20 | no reference to score against |
|
||||
| cytidine | open | pass | P 21 21 21 | P 21 21 21 | 0.33 | 0.994 | 0.58 | - | - | 90.9 | 3.6 | 10.2% | 9.3% | 0.997 | 8.5 | - | - | - | - | - | - | - | - | - | - | - | - | 7 | |
|
||||
| dnba | open | pass | C 1 2/c 1 | C 1 2/c 1 | 0.09 | 1.000 | 0.81 | 0.48 | -68.3% | 76.0 | 2.7 | 2.4% | 1.7% | 1.000 | 39.5 | - | - | - | - | - | - | - | - | - | - | - | - | 5 | |
|
||||
| lalanine | open | pass | P 21 21 21 | P 21 21 21 | 0.09 | 0.999 | 0.65 | - | - | 77.6 | 2.6 | 2.4% | 1.6% | 1.000 | 51.5 | - | - | - | - | - | - | - | - | - | - | - | - | 10 | |
|
||||
| metformin | open | pass | P 1 21/c 1 | P 1 21/c 1 | 0.17 | 1.001 | 0.51 | 0.45 | -12.9% | 73.5 | 4.8 | 3.1% | 2.8% | 1.000 | 31.0 | - | - | - | - | - | - | - | - | - | - | - | - | 3 | |
|
||||
| nidppe | open | pass | P 1 21/c 1 | P 1 21/c 1 | 0.28 | 0.998 | 0.51 | 0.77 | +34.3% | 66.6 | 5.3 | 8.0% | 4.1% | 0.999 | 29.7 | - | - | - | - | - | - | - | - | - | - | - | - | 3 | |
|
||||
| aspirin_x10sa_20keV | inhouse | pass | P 1 21/c 1 | P 1 21/c 1 | 0.04 | 1.000 | 0.66 | 0.68 | +2.6% | 79.5 | 5.9 | 3.0% | 2.3% | 1.000 | 35.5 | 27.4 | - | - | - | - | - | - | - | - | - | - | - | 9 | |
|
||||
| aspirin_x10sa_25keV | inhouse | pass | P 1 21/c 1 | P 1 21/c 1 | 0.05 | 1.001 | 0.53 | 0.55 | +3.6% | 79.2 | 6.0 | 3.1% | 2.2% | 1.000 | 34.4 | 29.2 | - | - | - | - | - | - | - | - | - | - | - | 6 | |
|
||||
| citricacid_x10sa_20keV | inhouse | pass | P 1 21/c 1 | P 1 21/c 1 | 0.11 | 1.000 | 0.67 | 0.68 | +1.8% | 78.7 | 5.1 | 4.1% | 4.8% | 0.997 | 23.0 | 20.4 | - | - | - | - | - | - | - | - | - | - | - | 7 | |
|
||||
| cytc_x06da_1 | inhouse | pass | P 31 2 1 | P 31 2 1 | 0.03 | 0.999 | 1.71 | 1.88 | +9.1% | 98.7 | 18.1 | 9.3% | 3.9% | 1.000 | 17.5 | 24.5 | - | 0.264 | 0.270 | 0.927 | 0.335 | 0.292 | 0.296 | 1.132 | 5.410 | - | ACCEPTED | 9 | labelled P 32 2 1 from the model |
|
||||
| cytc_x06da_2 | inhouse | pass | P 31 2 1 | P 31 2 1 | 0.09 | 1.002 | 1.57 | 1.69 | +6.8% | 99.6 | 17.6 | 9.5% | 3.4% | 1.000 | 23.0 | 27.0 | - | 0.253 | 0.215 | 0.925 | 0.306 | 0.278 | 0.286 | 1.069 | 6.240 | - | ACCEPTED | 9 | labelled P 32 2 1 from the model |
|
||||
| cytc_x10sa | inhouse | pass | P 31 2 1 | P 31 2 1 | 0.10 | 1.003 | 1.95 | 2.27 | +13.8% | 99.7 | 20.1 | 20.0% | 4.0% | 1.000 | 26.4 | 31.8 | - | 0.263 | 0.256 | 0.938 | 0.356 | 0.287 | 0.340 | 1.046 | 2.740 | - | ACCEPTED | 14 | labelled P 32 2 1 from the model |
|
||||
| hepes_x10sa_20keV | inhouse | pass | P b c a | P b c a | 0.14 | 0.998 | 0.66 | 0.68 | +2.8% | 86.6 | 10.3 | 2.7% | 3.7% | 0.999 | 37.0 | 28.5 | - | - | - | - | - | - | - | - | - | - | - | 10 | |
|
||||
| insu_H_x06da_notwin | inhouse | pass | R 3:H | R 3 | 0.07 | 0.999 | 1.41 | 1.54 | +8.5% | 91.1 | 8.6 | 6.2% | 4.2% | 0.999 | 20.4 | 17.7 | - | 0.229 | 0.109 | 0.935 | 0.215 | 0.233 | 0.229 | 0.940 | 5.990 | - | ACCEPTED | 6 | |
|
||||
| insu_H_x06da_twin | inhouse | pass | R 3:H | R 3 | 0.03 | 1.000 | 1.38 | 1.46 | +4.9% | 90.9 | 8.5 | 12.4% | 11.0% | 0.995 | 6.2 | 6.8 | - | 0.264 | 0.089 | 0.883 | 0.254 | 0.266 | 0.229 | 1.113 | 4.430 | - | ACCEPTED | 6 | |
|
||||
| insu_I_x06da_13keV | inhouse | pass | I 2 3 | I 2 3 | 0.03 | 0.999 | 1.46 | 1.64 | +10.9% | 99.7 | 38.8 | 33.2% | 8.4% | 0.999 | - | 18.8 | - | 0.234 | 0.028 | 0.941 | 0.258 | 0.234 | 0.161 | 1.600 | 1.190 | - | ACCEPTED | 8 | |
|
||||
| insu_I_x06da_5keV | inhouse | pass | I 2 3 | I 2 3 | 0.04 | 0.999 | 2.43 | 2.45 | +0.9% | 95.3 | 28.1 | 6.6% | 4.5% | 1.000 | 27.9 | 17.5 | - | 0.221 | 0.103 | 0.923 | 0.246 | 0.228 | 0.161 | 1.530 | 8.090 | - | NOT_TESTED | 4 | |
|
||||
| insu_I_x06da_5keV_2 | inhouse | pass | I 2 3 | I 2 3 | 0.07 | 0.998 | 2.43 | 2.45 | +0.9% | 94.5 | 29.6 | 7.8% | 5.1% | 1.000 | 32.1 | 20.0 | - | 0.236 | 0.310 | 0.876 | 0.334 | 0.310 | 0.161 | 2.071 | 9.370 | - | NOT_TESTED | 4 | |
|
||||
| insu_I_x06da_6keV | inhouse | pass | I 2 3 | I 2 3 | 0.08 | 0.998 | 2.02 | 2.04 | +0.7% | 95.5 | 28.4 | 6.1% | 4.8% | 1.000 | 20.6 | 17.9 | - | 0.214 | 0.038 | 0.933 | 0.236 | 0.214 | 0.161 | 1.466 | 11.770 | - | NOT_TESTED | 4 | |
|
||||
| insu_I_x06da_low_isa | inhouse | pass | I 2 3 | I 2 3 | 0.02 | 1.001 | 1.47 | 1.30 | -13.2% | 95.7 | 20.8 | 12.7% | 3.9% | 1.000 | 28.8 | 4.2 | - | 0.221 | 0.096 | 0.944 | 0.246 | 0.224 | 0.161 | 1.530 | 3.190 | - | ACCEPTED | 7 | |
|
||||
| insu_I_x06da_ref | inhouse | pass | I 2 3 | I 2 3 | 0.14 | 1.004 | 1.41 | 1.62 | +12.8% | 99.7 | 25.6 | 34.6% | 6.6% | 0.999 | 32.6 | 25.1 | - | 0.226 | 0.083 | 0.937 | 0.244 | 0.227 | 0.161 | 1.519 | 3.280 | - | ACCEPTED | 7 | |
|
||||
| insu_I_x06da_weak | inhouse | pass | I 2 3 | I 2 3 | 0.85 | 1.026 | 1.64 | 1.81 | +9.4% | 99.8 | 40.1 | 17.1% | 4.9% | 1.000 | 14.7 | 18.9 | - | 0.286 | 0.146 | 0.918 | 0.320 | 0.288 | 0.161 | 1.985 | 2.030 | - | NOT_TESTED | 11 | |
|
||||
| kdp_x10sa_20keV | inhouse | pass | I 41 m d | I -4 2 d | 0.04 | 1.001 | 0.66 | 0.74 | +10.3% | 90.9 | 16.7 | 5.5% | 4.8% | 0.998 | 24.0 | 4.1 | - | - | - | - | - | - | - | - | - | - | - | 16 | I 41 m d vs reference I -4 2 d: same Laue class and absences, undecidable from intensities (listed in SPACE_GROUP_ALTERNATIVES) |
|
||||
| lcystine_x10sa_20keV | inhouse | pass | P 61 2 2 | P 61 2 2 | 0.52 | 0.991 | 0.67 | - | - | 92.7 | 18.4 | 40.7% | 16.7% | 0.999 | 3.8 | - | - | - | - | - | - | - | - | - | - | - | - | 22 | |
|
||||
| lcystine_x10sa_25keV | inhouse | pass | P 61 2 2 | P 61 2 2 | 0.54 | 0.989 | 0.53 | - | - | 92.0 | 17.9 | 39.9% | 17.1% | 0.998 | 4.4 | - | - | - | - | - | - | - | - | - | - | - | - | 22 | |
|
||||
| lysoI_micromax_mono | inhouse | pass | P 41 21 2 | P 43 21 2 | 0.06 | 0.999 | 1.37 | 1.65 | +17.0% | 99.0 | 9.7 | 7.0% | 2.9% | 1.000 | 36.5 | 31.4 | - | 0.271 | 0.076 | 0.906 | 0.292 | 0.276 | 0.177 | 1.647 | 3.230 | - | ACCEPTED | 12 | P 41 21 2 vs reference P 43 21 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lysoI_micromax_pink | inhouse | pass | P 41 21 2 | P 43 21 2 | 0.04 | 1.000 | 1.39 | 1.65 | +15.6% | 99.3 | 10.0 | 8.1% | 3.2% | 1.000 | 35.5 | 29.2 | - | 0.274 | 0.073 | 0.900 | 0.295 | 0.278 | 0.177 | 1.664 | 2.420 | - | ACCEPTED | 14 | P 41 21 2 vs reference P 43 21 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lyso_micromax_mono | inhouse | pass | P 41 21 2 | P 43 21 2 | 0.17 | 1.003 | 1.18 | 1.50 | +21.5% | 79.1 | 8.3 | 5.0% | 2.5% | 1.000 | 41.1 | 39.9 | - | 0.232 | 0.157 | 0.932 | 0.248 | 0.242 | 0.177 | 1.400 | 4.450 | - | ACCEPTED | 12 | P 41 21 2 vs reference P 43 21 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lyso_micromax_pink | inhouse | pass | P 41 21 2 | P 43 21 2 | 0.14 | 1.003 | 1.20 | 1.45 | +17.0% | 83.6 | 8.3 | 5.1% | 2.5% | 1.000 | 41.6 | 37.4 | - | 0.235 | 0.181 | 0.931 | 0.257 | 0.250 | 0.177 | 1.451 | 4.370 | - | ACCEPTED | 14 | P 41 21 2 vs reference P 43 21 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lyso_x06da_5keV | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.06 | 0.999 | 2.44 | 2.45 | +0.6% | 86.7 | 19.7 | 6.5% | 5.4% | 0.999 | 26.9 | 19.4 | - | 0.279 | 0.171 | 0.826 | 0.295 | 0.295 | 0.177 | 1.667 | 5.860 | - | ACCEPTED | 4 | labelled P 43 21 2 from the model |
|
||||
| lyso_x06da_atten_wedge | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.32 | 1.007 | 1.20 | 1.26 | +4.8% | 99.7 | 23.0 | 41.3% | 6.9% | 0.998 | 13.3 | 16.6 | - | 0.296 | 0.061 | 0.895 | 0.307 | 0.296 | 0.177 | 1.732 | 1.940 | - | ACCEPTED | 8 | labelled P 43 21 2 from the model |
|
||||
| lyso_x06da_half_image | inhouse | pass | P 41 21 2 | P 43 21 2 | 1.02 | 1.027 | 1.57 | 1.65 | +4.6% | 99.8 | 12.0 | 245.2% | 35.0% | 0.959 | 4.4 | 6.6 | - | 0.300 | 0.181 | 0.803 | 0.332 | 0.328 | 0.177 | 1.873 | 0.920 | - | ACCEPTED | 12 | P 41 21 2 vs reference P 43 21 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lyso_x06da_ice | inhouse | pass | P 41 21 2 | P 4 2 2 | 0.11 | 1.002 | 1.33 | 1.43 | +7.2% | 99.7 | 19.4 | 19.3% | 4.7% | 0.999 | 22.4 | 23.3 | - | 0.289 | 0.118 | 0.902 | 0.315 | 0.295 | 0.177 | 1.777 | 2.560 | - | ACCEPTED | 7 | P 41 21 2 vs reference P 4 2 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lyso_x06da_ref | inhouse | pass | P 41 21 2 | P 4 2 2 | 0.03 | 1.001 | 0.99 | 1.20 | +17.2% | 85.7 | 22.2 | 4.8% | 2.7% | 1.000 | 30.1 | 28.3 | - | 0.271 | 0.100 | 0.902 | 0.287 | 0.275 | 0.177 | 1.622 | 9.770 | - | ACCEPTED | 9 | P 41 21 2 vs reference P 4 2 2 (screws not judged against XDS); labelled P 43 21 2 from the model |
|
||||
| lyso_x10sa_90deg_1 | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.12 | 0.998 | 1.82 | 1.97 | +7.2% | 99.8 | 6.4 | 17.6% | 4.6% | 0.998 | 20.5 | 20.8 | - | 0.380 | 0.095 | 0.817 | 0.369 | 0.386 | 0.177 | 2.084 | 0.340 | - | ACCEPTED | 6 | labelled P 43 21 2 from the model |
|
||||
| lyso_x10sa_90deg_2 | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.16 | 0.997 | 1.85 | 1.97 | +6.2% | 99.8 | 6.4 | 17.0% | 4.8% | 0.998 | 19.0 | 18.1 | - | 0.380 | 0.104 | 0.821 | 0.376 | 0.386 | 0.177 | 2.120 | 0.580 | - | ACCEPTED | 6 | labelled P 43 21 2 from the model |
|
||||
| lyso_x10sa_strong | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.65 | 0.981 | 1.36 | 1.24 | -9.4% | 99.3 | 21.4 | 23.7% | 10.8% | 0.995 | 5.5 | 8.6 | - | 0.378 | 0.190 | 0.847 | 0.365 | 0.381 | 0.177 | 2.059 | 1.600 | - | ACCEPTED | 28 | labelled P 43 21 2 from the model |
|
||||
| myob_x06da | inhouse | pass | P 1 21 1 | P 1 21 1 | 0.13 | 1.002 | 1.24 | 1.42 | +12.7% | 99.7 | 6.7 | 17.0% | 4.3% | 0.998 | 22.9 | 7.6 | - | 0.229 | 0.115 | 0.952 | 0.236 | 0.237 | 0.218 | 1.081 | 3.500 | - | NOT_TESTED | 8 | |
|
||||
| myob_x06da_powder_1 | inhouse | pass | P 1 21 1 | P 1 21 1 | 0.26 | 0.994 | 1.73 | 1.50 | -15.9% | 98.9 | 4.5 | 74.4% | 18.0% | 0.578 | 3.8 | 5.5 | - | 0.492 | 0.311 | 0.171 | 0.523 | 0.507 | 0.218 | 2.401 | -0.260 | - | ACCEPTED | 10 | |
|
||||
| myob_x06da_powder_2 | inhouse | pass | P 1 21 1 | P 1 21 1 | 0.45 | 0.996 | 1.47 | 0.99 | -48.8% | 99.5 | 5.5 | 174.0% | 33.5% | 0.783 | 2.3 | 2.2 | - | 0.489 | 0.117 | 0.048 | 0.500 | 0.499 | 0.218 | 2.294 | 1.420 | - | NOT_TESTED | 14 | |
|
||||
| myob_x06da_sparse | inhouse | pass | P 1 21 1 | P 1 21 1 | 0.41 | 0.995 | 1.78 | 2.00 | +10.9% | 99.7 | 5.4 | 41.2% | 13.6% | 0.950 | 4.4 | 5.5 | - | 0.423 | 0.112 | 0.776 | 0.423 | 0.424 | 0.218 | 1.943 | 1.060 | - | NOT_TESTED | 15 | |
|
||||
| myob_x06da_split | inhouse | pass | P 1 21 1 | P 1 21 1 | 0.20 | 0.997 | 1.86 | 1.51 | -23.3% | 99.7 | 5.7 | 78.2% | 19.8% | 0.700 | 2.7 | 12.4 | - | 0.397 | 0.165 | 0.312 | 0.402 | 0.408 | 0.218 | 1.844 | 0.390 | - | NOT_TESTED | 10 | |
|
||||
| myob_x10sa | inhouse | pass | P 1 21 1 | P 1 21 1 | 0.30 | 1.005 | 1.56 | 1.74 | +10.5% | 97.4 | 5.7 | 17.0% | 7.7% | 0.996 | 11.1 | 5.2 | - | 0.242 | 0.041 | 0.935 | 0.246 | 0.244 | 0.218 | 1.128 | 2.040 | - | NOT_TESTED | 9 | |
|
||||
| nothing_1 | inhouse | pass | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 13 | no lattice reported, as expected |
|
||||
| nothing_2 | inhouse | pass | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 12 | no lattice reported, as expected |
|
||||
| thau_bl1a_3p8keV | inhouse | pass | P 41 21 2 | P 4 2 2 | 0.06 | 0.998 | 3.02 | 3.10 | +2.7% | 88.8 | 15.5 | 7.0% | 5.8% | 0.998 | 31.4 | 30.8 | - | 0.185 | 0.030 | 0.935 | 0.188 | 0.186 | 0.151 | 1.240 | 8.940 | - | NOT_TESTED | 6 | P 41 21 2 vs reference P 4 2 2 (screws not judged against XDS) |
|
||||
| thau_bl1a_4p6keV | inhouse | pass | P 41 21 2 | P 4 2 2 | 0.06 | 0.998 | 2.47 | 2.53 | +2.5% | 88.4 | 15.8 | 6.9% | 5.3% | 0.999 | 35.1 | 35.6 | - | 0.183 | 0.028 | 0.943 | 0.175 | 0.185 | 0.151 | 1.157 | 8.580 | - | NOT_TESTED | 6 | P 41 21 2 vs reference P 4 2 2 (screws not judged against XDS) |
|
||||
| thau_bl1a_6p5keV | inhouse | pass | P 41 21 2 | P 4 2 2 | 0.03 | 0.999 | 1.74 | 1.78 | +2.5% | 88.6 | 16.1 | 7.5% | 4.7% | 0.999 | 42.7 | 34.5 | - | 0.191 | 0.050 | 0.951 | 0.183 | 0.194 | 0.151 | 1.208 | 6.730 | - | NOT_TESTED | 8 | P 41 21 2 vs reference P 4 2 2 (screws not judged against XDS) |
|
||||
| thau_micromax_pink | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.21 | 0.995 | 1.24 | 1.40 | +11.8% | 94.1 | 13.7 | 8.8% | 5.1% | 0.999 | 15.7 | 21.2 | - | 0.190 | 0.182 | 0.963 | 0.207 | 0.208 | 0.151 | 1.369 | 3.900 | - | NOT_TESTED | 11 | |
|
||||
| thau_x10sa_0p1deg | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.22 | 0.993 | 1.89 | 2.20 | +13.9% | 85.4 | 17.1 | 14.6% | 7.2% | 0.998 | 10.8 | 9.2 | - | 0.238 | 0.034 | 0.927 | 0.237 | 0.241 | 0.151 | 1.567 | 1.330 | - | NOT_TESTED | 13 | |
|
||||
| thau_x10sa_16keV | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.02 | 1.000 | 1.22 | 1.30 | +6.3% | 82.5 | 17.6 | 7.1% | 2.9% | 1.000 | 50.9 | 44.5 | - | 0.228 | 0.122 | 0.942 | 0.231 | 0.235 | 0.151 | 1.527 | 2.390 | - | NOT_TESTED | 12 | |
|
||||
| thau_x10sa_injection | inhouse | pass | P 41 21 2 | P 41 21 2 | 0.02 | 1.000 | 1.26 | 1.28 | +1.6% | 82.5 | 19.0 | 3.9% | 2.6% | 1.000 | 32.9 | 36.2 | - | 0.228 | 0.039 | 0.939 | 0.224 | 0.229 | 0.151 | 1.477 | 9.630 | - | NOT_TESTED | 20 | |
|
||||
| yag_x10sa_20keV | inhouse | pass | I a -3 d | I a -3 d | 0.03 | 0.999 | 0.66 | 0.68 | +2.4% | 96.2 | 34.9 | 40.3% | 44.7% | 0.640 | 2.9 | 3.2 | - | - | - | - | - | - | - | - | - | - | - | 12 | |
|
||||
|
||||
## Delta vs baseline 20260929-2003_cca7bf_r12-rc173-refmac
|
||||
|
||||
Baseline rugnux 1.0.0-rc.173. Pass rates on the sets both runs have:
|
||||
|
||||
| arm | common sets | baseline | this run |
|
||||
|:--|--:|:--|:--|
|
||||
| open | 171 | 166/169 (98%) | 165/168 (98%) |
|
||||
| inhouse | 39 | 39/39 (100%) | 39/39 (100%) |
|
||||
|
||||
Rows whose result moved beyond noise (thresholds in report.py NOISE; confirm with `compare --rerun-changed` before believing a single-set change):
|
||||
|
||||
| set | arm | verdict | space group | d_min | ISa | R_meas | CC1/2 | cell dev % | R_model (shell-scaled) | R_free | radial misfit | anom. sigma | ref-range R_meas | ref-range low-res R_meas | SHELXL R1 | SHELXL wR2 | SHELXL GooF | SHELXL EXTI | time s | beyond noise |
|
||||
|:--|:--|:--|:--|:--|:--|:--|:--|:--|:--|:--|:--|:--|:--|:--|:--|:--|:--|:--|:--|:--|
|
||||
| cytc_x06da_2 | inhouse | pass | P 31 2 1 | 1.57 | 21.1 -> 23.0 | 9.8% -> 9.5% | 1.000 | 0.11 -> 0.09 | - -> 0.253 | - -> 0.306 | - -> 0.21 | - -> 6.24 | 9.1% -> 8.9% | 3.5% -> 3.4% | - | - | - | - | 20 -> 9 | isa, refres_isa, time |
|
||||
| cytc_x10sa | inhouse | pass | P 31 2 1 | 1.95 | 25.8 -> 26.4 | 20.1% -> 20.0% | 0.999 -> 1.000 | 0.13 -> 0.10 | - -> 0.263 | - -> 0.356 | - -> 0.26 | - -> 2.74 | 18.0% -> 17.9% | 3.9% | - | - | - | - | 26 -> 14 | time |
|
||||
| insu_H_x06da_twin | inhouse | pass | R 3:H | 1.38 | 6.3 -> 6.2 | 12.8% -> 12.4% | 0.994 -> 0.995 | 0.04 -> 0.03 | - -> 0.264 | - -> 0.254 | - -> 0.09 | - -> 4.43 | 13.2% -> 12.8% | 11.5% -> 10.9% | - | - | - | - | 12 -> 6 | refres_lowres_r_meas |
|
||||
| insu_I_x06da_13keV | inhouse | pass | I 2 3 | 1.48 -> 1.46 | - | 31.8% -> 33.2% | 0.999 | 0.27 -> 0.03 | - -> 0.234 | - -> 0.258 | - -> 0.03 | - -> 1.19 | 26.8% -> 27.2% | 8.0% -> 8.1% | - | - | - | - | 16 -> 8 | cell_dev_pct, refres_isa |
|
||||
| insu_I_x06da_5keV_2 | inhouse | pass | I 2 3 | 2.42 -> 2.43 | 24.4 -> 32.1 | 8.3% -> 7.8% | 1.000 | 0.05 -> 0.07 | - -> 0.236 | - -> 0.334 | - -> 0.31 | - -> 9.37 | 7.9% -> 7.4% | 5.8% -> 5.1% | - | - | - | - | 8 -> 4 | isa, r_meas, refres_r_meas, refres_isa, refres_lowres_r_meas |
|
||||
| insu_I_x06da_low_isa | inhouse | pass | I 2 3 | 1.44 -> 1.47 | 5.6 -> 28.8 | 22.0% -> 12.7% | 0.998 -> 1.000 | 0.08 -> 0.02 | - -> 0.221 | - -> 0.246 | - -> 0.10 | - -> 3.19 | 22.1% -> 12.7% | 15.9% -> 4.0% | - | - | - | - | 16 -> 7 | d_min, isa, r_meas, completeness, refres_r_meas, refres_isa, refres_lowres_r_meas |
|
||||
| insu_I_x06da_ref | inhouse | pass | I 2 3 | 1.40 -> 1.41 | 31.1 -> 32.6 | 27.8% -> 34.6% | 0.999 | 0.13 -> 0.14 | - -> 0.226 | - -> 0.244 | - -> 0.08 | - -> 3.28 | 24.0% -> 29.2% | 5.9% -> 6.6% | - | - | - | - | 15 -> 7 | r_meas, refres_r_meas, refres_isa, refres_lowres_r_meas |
|
||||
| lysoI_micromax_mono | inhouse | pass | P 41 21 2 | 1.35 -> 1.37 | 37.3 -> 36.5 | 6.9% -> 7.0% | 1.000 | 0.06 | - -> 0.271 | - -> 0.292 | - -> 0.08 | - -> 3.23 | 5.7% -> 5.8% | 3.0% | - | - | - | - | 25 -> 12 | time |
|
||||
| lysoI_micromax_pink | inhouse | pass | P 41 21 2 | 1.42 -> 1.39 | 33.5 -> 35.5 | 7.4% -> 8.1% | 1.000 | 0.09 -> 0.04 | - -> 0.274 | - -> 0.295 | - -> 0.07 | - -> 2.42 | 6.3% -> 6.6% | 3.1% -> 3.2% | - | - | - | - | 17 -> 14 | isa, r_meas, refres_r_meas |
|
||||
| lyso_micromax_mono | inhouse | pass | P 41 21 2 | 1.20 -> 1.18 | 39.0 -> 41.1 | 4.9% -> 5.0% | 1.000 | 0.16 -> 0.17 | - -> 0.232 | - -> 0.248 | - -> 0.16 | - -> 4.45 | 4.6% -> 4.7% | 2.5% | - | - | - | - | 24 -> 12 | isa, completeness, time |
|
||||
| lyso_micromax_pink | inhouse | pass | P 41 21 2 | 1.26 -> 1.20 | 35.7 -> 41.6 | 5.2% -> 5.1% | 1.000 | 0.16 -> 0.14 | - -> 0.235 | - -> 0.257 | - -> 0.18 | - -> 4.37 | 4.9% | 2.5% -> 2.4% | - | - | - | - | 17 -> 14 | d_min, isa, completeness, refres_isa |
|
||||
| lyso_x06da_5keV | inhouse | pass | P 41 21 2 | 2.43 -> 2.44 | 25.6 -> 26.9 | 6.6% -> 6.5% | 0.999 | 0.29 -> 0.06 | - -> 0.279 | - -> 0.295 | - -> 0.17 | - -> 5.86 | 5.9% -> 5.7% | 5.4% | - | - | - | - | 8 -> 4 | isa, cell_dev_pct, refres_isa |
|
||||
| lyso_x06da_atten_wedge | inhouse | pass | P 41 21 2 | 1.16 -> 1.20 | 13.0 -> 13.3 | 35.8% -> 41.3% | 0.999 -> 0.998 | 0.25 -> 0.32 | - -> 0.296 | - -> 0.307 | - -> 0.06 | - -> 1.94 | 30.9% -> 35.6% | 7.1% -> 6.7% | - | - | - | - | 19 -> 8 | d_min, r_meas, completeness, refres_r_meas, refres_lowres_r_meas, time |
|
||||
| lyso_x06da_half_image | inhouse | pass | P 41 21 2 | 1.56 -> 1.57 | 7.3 -> 4.4 | 101.0% -> 245.2% | 0.972 -> 0.959 | 0.71 -> 1.02 | - -> 0.300 | - -> 0.332 | - -> 0.18 | - -> 0.92 | 94.7% -> 216.8% | 25.6% -> 34.3% | - | - | - | - | 47 -> 12 | isa, r_meas, cc_half, cell_dev_pct, refres_r_meas, refres_isa, refres_lowres_r_meas, time |
|
||||
| lyso_x10sa_90deg_1 | inhouse | pass | P 41 21 2 | 1.86 -> 1.82 | 18.8 -> 20.5 | 18.1% -> 17.6% | 0.997 -> 0.998 | 0.12 | - -> 0.380 | - -> 0.369 | - -> 0.10 | - -> 0.34 | 16.3% -> 15.2% | 4.7% -> 4.5% | - | - | - | - | 10 -> 6 | d_min, isa, refres_r_meas, refres_isa |
|
||||
| lyso_x10sa_90deg_2 | inhouse | pass | P 41 21 2 | 1.88 -> 1.85 | 17.7 -> 19.0 | 17.7% -> 17.0% | 0.998 | 0.16 | - -> 0.380 | - -> 0.376 | - -> 0.10 | - -> 0.58 | 16.2% -> 15.1% | 4.8% -> 4.6% | - | - | - | - | 9 -> 6 | isa, refres_r_meas, refres_isa |
|
||||
| lyso_x10sa_strong | inhouse | pass | P 41 21 2 | 1.37 -> 1.36 | 4.9 -> 5.5 | 24.0% -> 23.7% | 0.996 -> 0.995 | 0.63 -> 0.65 | - -> 0.378 | - -> 0.365 | - -> 0.19 | - -> 1.60 | 24.0% -> 23.7% | 12.9% -> 11.8% | - | - | - | - | 40 -> 28 | isa, refres_isa, refres_lowres_r_meas, time |
|
||||
| myob_x06da | inhouse | pass | P 1 21 1 | 1.23 -> 1.24 | 23.9 -> 22.9 | 17.0% | 0.998 | 0.12 -> 0.13 | - -> 0.229 | - -> 0.236 | - -> 0.12 | - -> 3.50 | 12.5% -> 12.7% | 4.3% -> 4.4% | - | - | - | - | 11 -> 8 | refres_isa |
|
||||
| myob_x06da_powder_1 | inhouse | pass | P 1 2 1 -> P 1 21 1 | 1.38 -> 1.73 | 2.4 -> 3.8 | 98.7% -> 74.4% | 0.929 -> 0.578 | 0.02 -> 0.26 | - -> 0.492 | - -> 0.523 | - -> 0.31 | - -> -0.26 | 83.4% -> 74.4% | 17.0% -> 20.1% | - | - | - | - | 16 -> 10 | space group, d_min, isa, r_meas, cc_half, cell_dev_pct, refres_r_meas, refres_isa, refres_lowres_r_meas |
|
||||
| myob_x06da_powder_2 | inhouse | pass | P 1 2 1 -> P 1 21 1 | 1.41 -> 1.47 | 2.8 -> 2.3 | 151.9% -> 174.0% | 0.888 -> 0.783 | 0.34 -> 0.45 | - -> 0.489 | - -> 0.500 | - -> 0.12 | - -> 1.42 | 151.9% -> 174.0% | 58.8% -> 54.2% | - | - | - | - | 18 -> 14 | space group, d_min, isa, r_meas, cc_half, refres_r_meas, refres_isa, refres_lowres_r_meas |
|
||||
| myob_x06da_sparse | inhouse | pass | P 1 2 1 -> P 1 21 1 | 1.77 -> 1.78 | 3.0 -> 4.4 | 49.1% -> 41.2% | 0.893 -> 0.950 | 0.44 -> 0.41 | - -> 0.423 | - -> 0.423 | - -> 0.11 | - -> 1.06 | 41.8% -> 34.1% | 19.9% -> 12.9% | - | - | - | - | 40 -> 15 | space group, isa, r_meas, cc_half, refres_r_meas, refres_isa, refres_lowres_r_meas, time |
|
||||
| myob_x06da_split | inhouse | pass | P 1 21 1 | 1.84 -> 1.86 | 3.1 -> 2.7 | 69.9% -> 78.2% | 0.525 -> 0.700 | 0.21 -> 0.20 | - -> 0.397 | - -> 0.402 | - -> 0.17 | - -> 0.39 | 69.9% -> 78.2% | 20.6% -> 22.1% | - | - | - | - | 19 -> 10 | isa, r_meas, cc_half, refres_r_meas, refres_isa, refres_lowres_r_meas |
|
||||
| myob_x10sa | inhouse | pass | P 1 21 1 | 1.62 -> 1.56 | 9.1 -> 11.1 | 18.4% -> 17.0% | 0.994 -> 0.996 | 0.31 -> 0.30 | - -> 0.242 | - -> 0.246 | - -> 0.04 | - -> 2.04 | 17.7% -> 15.5% | 7.9% -> 7.7% | - | - | - | - | 18 -> 9 | d_min, isa, r_meas, refres_r_meas, refres_isa |
|
||||
| nothing_1 | inhouse | pass | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 51 -> 13 | time |
|
||||
| nothing_2 | inhouse | pass | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 48 -> 12 | time |
|
||||
| thau_bl1a_3p8keV | inhouse | pass | P 41 21 2 | 3.02 | 17.4 -> 31.4 | 8.1% -> 7.0% | 0.997 -> 0.998 | 0.02 -> 0.06 | - -> 0.185 | - -> 0.188 | - -> 0.03 | - -> 8.94 | 7.4% -> 6.1% | 6.9% -> 5.5% | - | - | - | - | 10 -> 6 | isa, r_meas, refres_r_meas, refres_isa, refres_lowres_r_meas |
|
||||
| thau_bl1a_6p5keV | inhouse | pass | P 41 21 2 | 1.73 -> 1.74 | - -> 42.7 | 7.2% -> 7.5% | 0.999 | 0.04 -> 0.03 | - -> 0.191 | - -> 0.183 | - -> 0.05 | - -> 6.73 | 7.1% -> 7.3% | 4.6% -> 4.7% | - | - | - | - | 15 -> 8 | isa, refres_isa |
|
||||
| thau_micromax_pink | inhouse | pass | P 41 21 2 | 1.28 -> 1.24 | 15.4 -> 15.7 | 8.6% -> 8.8% | 0.999 | 0.13 -> 0.21 | - -> 0.190 | - -> 0.207 | - -> 0.18 | - -> 3.90 | 8.6% -> 8.7% | 4.9% | - | - | - | - | 21 -> 11 | d_min, completeness |
|
||||
| thau_x10sa_0p1deg | inhouse | pass | P 41 21 2 | 2.04 -> 1.89 | 7.0 -> 10.8 | 18.7% -> 14.6% | 0.999 -> 0.998 | 0.23 -> 0.22 | - -> 0.238 | - -> 0.237 | - -> 0.03 | - -> 1.33 | 18.4% -> 13.8% | 9.1% -> 6.7% | - | - | - | - | 23 -> 13 | d_min, isa, r_meas, completeness, refres_r_meas, refres_isa, refres_lowres_r_meas |
|
||||
| 11if | open | pass | P 41 | 1.38 -> 1.36 | 25.5 -> 26.1 | 4.6% -> 4.8% | 1.000 | 0.12 -> 0.14 | 0.191 -> 0.192 | 0.200 -> 0.189 | 0.19 -> 0.14 | - -> 3.09 | - | - | - | - | - | - | 14 -> 8 | completeness, radial_misfit, rfree |
|
||||
| 36gk | open | pass | I 2 2 2 | 2.09 -> 2.10 | 11.8 -> 11.6 | 15.7% -> 15.8% | 0.998 | 0.09 -> 0.08 | 0.203 -> 0.202 | 0.203 | 0.11 -> 0.12 | - -> 2.81 | - | - | - | - | - | - | 41 -> 23 | time |
|
||||
| 3inp | open | pass | F 41 3 2 | 1.70 | 13.3 -> 13.2 | 10.9% -> 10.5% | 0.999 | 0.04 | 0.239 -> 0.237 | 0.239 | 0.07 -> 0.08 | - -> 3.15 | - | - | - | - | - | - | 56 -> 24 | time |
|
||||
| 3ky7 | open | pass | P 43 3 2 | 1.92 | 12.3 -> 12.2 | 10.7% -> 10.6% | 0.999 | 0.03 | 0.341 -> 0.339 | 0.335 -> 0.334 | 0.05 | - -> 0.38 | - | - | - | - | - | - | 57 -> 21 | time |
|
||||
| 5ebi | open | pass -> fail | P 1 21 1 -> C 2 2 21 | 0.90 -> 0.86 | 14.4 -> 10.9 | 10.6% -> 12.2% | 0.997 -> 0.998 | 0.05 -> 40.36 | 0.549 -> 0.580 | 0.535 -> 0.572 | 0.07 -> 0.13 | - -> -0.10 | - | - | - | - | - | - | 52 -> 17 | verdict pass->fail, space group, d_min, isa, r_meas, cell_dev_pct, rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 5epe | open | pass | F 2 3 | 1.78 -> 1.75 | 10.0 -> 11.1 | 14.3% -> 26.0% | 0.998 -> 0.997 | 0.00 -> 0.03 | 0.166 -> 0.179 | 0.175 -> 0.183 | 0.08 -> 0.12 | - -> 9.53 | - | - | - | - | - | - | 67 -> 21 | isa, r_meas, rmodel_shell_scaled, rfree, time |
|
||||
| 5j23 | open | pass | R 3:H | 2.17 -> 2.20 | 11.5 | 15.2% -> 14.8% | 0.996 | 0.15 | 0.227 -> 0.226 | 0.234 -> 0.232 | 0.13 -> 0.12 | - -> 0.83 | - | - | - | - | - | - | 62 -> 23 | time |
|
||||
| 5jvn | open | pass | P 6 2 2 | 2.24 -> 2.23 | 15.6 -> 14.9 | 16.3% -> 16.5% | 0.998 | 0.03 | 0.234 -> 0.228 | 0.250 -> 0.246 | 0.14 -> 0.12 | - -> 1.39 | - | - | - | - | - | - | 40 -> 29 | rmodel_shell_scaled, time |
|
||||
| 5ky6 | open | pass -> fail | P 1 21 1 -> P 1 2 1 | 1.55 -> 1.50 | 7.2 -> 6.9 | 27.3% -> 18.7% | 0.987 | 0.64 -> 1.03 | 0.245 | 0.249 -> 0.263 | 0.11 -> 0.17 | - -> 0.68 | - | - | - | - | - | - | 92 -> 17 | verdict pass->fail, space group, d_min, r_meas, completeness, cell_dev_pct, radial_misfit, rfree, time |
|
||||
| 5lzl | open | pass | P 31 2 1 | 2.86 -> 2.89 | 15.0 -> 14.6 | 17.2% -> 18.5% | 0.997 | 0.29 -> 0.37 | 0.222 | 0.228 -> 0.229 | 0.14 | - -> 1.27 | - | - | - | - | - | - | 25 -> 10 | r_meas, time |
|
||||
| 5m17 | open | pass | I 4 | 0.98 | 16.0 -> 16.1 | 6.0% -> 5.5% | 0.994 -> 0.996 | 0.08 -> 0.10 | 0.132 | 0.159 -> 0.158 | 0.23 -> 0.22 | - -> 7.03 | - | - | - | - | - | - | 102 -> 57 | r_meas, time |
|
||||
| 5mln | open | pass | P 21 21 2 | 1.26 -> 1.27 | 21.4 -> 21.0 | 10.4% | 0.999 | 0.10 -> 0.25 | 0.184 -> 0.182 | 0.189 | 0.14 -> 0.15 | - -> 2.07 | - | - | - | - | - | - | 45 -> 14 | time |
|
||||
| 5nw5 | open | pass | P 21 21 21 | 7.10 -> 7.04 | 8.8 -> 8.4 | 32.0% -> 32.8% | 0.936 -> 0.937 | 0.19 -> 0.24 | 0.401 -> 0.324 | 0.440 -> 0.364 | 0.36 -> 0.13 | - -> 0.06 | - | - | - | - | - | - | 47 -> 16 | rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 5reo | open | pass | C 1 2 1 | 1.65 -> 1.64 | 24.0 -> 23.0 | 22.1% -> 23.6% | 0.990 -> 0.989 | 0.35 -> 0.36 | 0.204 -> 0.205 | 0.202 -> 0.201 | 0.07 -> 0.06 | - -> 0.72 | - | - | - | - | - | - | 10 -> 7 | r_meas |
|
||||
| 5src | open | pass | P 41 | 0.97 | 19.6 -> 19.4 | 5.9% -> 5.7% | 1.000 -> 0.999 | 0.09 -> 0.15 | 0.164 -> 0.161 | 0.183 -> 0.182 | 0.20 -> 0.19 | - -> 5.97 | - | - | - | - | - | - | 44 -> 23 | time |
|
||||
| 5t39 | open | pass | P 1 21 1 | 1.01 -> 1.00 | 16.0 -> 16.1 | 7.0% -> 7.3% | 0.998 | 0.13 -> 0.17 | 0.152 -> 0.151 | 0.165 -> 0.156 | 0.17 -> 0.08 | - -> 6.35 | - | - | - | - | - | - | 75 -> 21 | r_meas, completeness, radial_misfit, rfree, time |
|
||||
| 6cdl | open | pass | P 21 21 2 | 1.15 -> 1.13 | 11.2 -> 10.0 | 8.2% -> 8.5% | 0.996 | 1.22 -> 0.94 | 0.150 -> 0.147 | 0.174 -> 0.154 | 0.28 -> 0.15 | - -> 4.35 | - | - | - | - | - | - | 57 -> 26 | isa, completeness, cell_dev_pct, radial_misfit, rfree, time |
|
||||
| 6f3p | open | pass | C 1 2 1 | 1.13 -> 1.15 | 9.4 -> 9.3 | 10.6% -> 10.0% | 0.997 | 0.12 -> 0.21 | 0.144 -> 0.143 | 0.167 -> 0.166 | 0.18 -> 0.20 | - -> -3.32 | - | - | - | - | - | - | 130 -> 32 | r_meas, time |
|
||||
| 6fvz | open | pass | C 2 2 2 | 1.49 -> 1.48 | 20.6 -> 20.8 | 24.2% -> 24.5% | 0.996 | 0.43 -> 0.18 | 0.202 -> 0.198 | 0.206 -> 0.202 | 0.10 -> 0.09 | - -> 1.33 | - | - | - | - | - | - | 36 -> 23 | cell_dev_pct, time |
|
||||
| 6fwc | open | pass | C 2 2 2 | 1.41 | 27.2 -> 27.3 | 16.4% | 0.995 | 0.04 | 0.189 -> 0.188 | 0.197 -> 0.196 | 0.10 | - -> 1.45 | - | - | - | - | - | - | 48 -> 14 | time |
|
||||
| 6g1f | open | pass | C 1 2 1 | 1.93 -> 1.98 | 21.2 -> 20.8 | 11.7% -> 11.2% | 0.997 | 0.04 -> 0.06 | 0.210 -> 0.206 | 0.224 -> 0.219 | 0.14 -> 0.11 | - -> 1.04 | - | - | - | - | - | - | 140 -> 23 | d_min, rfree, time |
|
||||
| 6h2p_1p89A | open | pass | C 2 2 21 | 1.76 | 22.5 -> 22.6 | 8.3% -> 8.7% | 0.999 | 0.03 -> 0.08 | 0.144 | 0.154 -> 0.149 | 0.11 -> 0.07 | - -> 9.05 | - | - | - | - | - | - | 172 -> 25 | time |
|
||||
| 6h2p_native | open | pass | C 2 2 21 | 1.32 | 19.9 -> 19.8 | 13.7% -> 13.6% | 0.999 | 0.04 -> 0.06 | 0.170 -> 0.160 | 0.174 -> 0.165 | 0.08 -> 0.07 | - -> 3.32 | - | - | - | - | - | - | 110 -> 30 | rmodel_shell_scaled, rfree, time |
|
||||
| 6h5t | open | pass | I 4 2 2 | 1.48 -> 1.45 | 9.2 -> 9.3 | 15.2% -> 14.7% | 0.996 | 0.40 | 0.203 -> 0.197 | 0.218 -> 0.225 | 0.13 -> 0.21 | - -> 9.05 | - | - | - | - | - | - | 35 -> 14 | rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 6hv2 | open | pass | P 61 2 2 | 1.42 -> 1.40 | 13.6 -> 14.6 | 18.1% -> 19.8% | 1.000 | 0.04 -> 0.06 | 0.235 -> 0.219 | 0.247 -> 0.239 | 0.46 -> 0.26 | - -> 7.84 | - | - | - | - | - | - | 37 -> 19 | isa, r_meas, rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 6hwj | open | pass | P 1 21 1 | 1.72 -> 1.70 | 37.8 -> 39.0 | 8.4% -> 9.2% | 0.999 | 0.10 | 0.187 -> 0.189 | 0.192 -> 0.190 | 0.13 -> 0.10 | - -> 1.50 | - | - | - | - | - | - | 19 -> 10 | r_meas |
|
||||
| 6i3j | open | pass | F 2 2 2 | 2.32 -> 2.33 | 7.0 -> 7.8 | 23.5% -> 21.5% | 0.983 -> 0.985 | 0.08 -> 0.17 | 0.202 -> 0.192 | 0.233 -> 0.229 | 0.16 -> 0.18 | - -> 2.07 | - | - | - | - | - | - | 83 -> 19 | isa, r_meas, rmodel_shell_scaled, time |
|
||||
| 6iu5 | open | pass | P 31 | 2.12 | 7.9 -> 8.0 | 18.9% -> 18.2% | 0.991 -> 0.993 | 0.02 | 0.212 | 0.215 | 0.08 | - -> 7.66 | - | - | - | - | - | - | 89 -> 16 | time |
|
||||
| 6iu6 | open | pass | P 31 | 2.38 -> 2.35 | 7.0 -> 7.1 | 14.2% -> 11.7% | 0.992 -> 0.996 | 0.33 | 0.221 | 0.234 -> 0.235 | 0.19 -> 0.17 | - -> 3.54 | - | - | - | - | - | - | 87 -> 16 | r_meas, time |
|
||||
| 6iu9 | open | pass | P 31 | 2.73 -> 2.76 | 5.3 -> 5.5 | 18.0% -> 13.9% | 0.989 -> 0.994 | 0.22 -> 0.20 | 0.306 -> 0.313 | 0.316 -> 0.323 | 0.11 | - -> 1.47 | - | - | - | - | - | - | 129 -> 16 | r_meas, rmodel_shell_scaled, rfree, time |
|
||||
| 6jgh | open | pass | P 21 21 21 | 0.87 -> 0.88 | 6.7 | 22.7% -> 23.0% | 0.989 -> 0.990 | 0.39 -> 0.34 | 0.148 -> 0.134 | 0.169 -> 0.153 | 0.19 -> 0.15 | - -> 2.06 | - | - | - | - | - | - | 105 -> 34 | rmodel_shell_scaled, rfree, time |
|
||||
| 6jgi | open | pass | P 21 21 21 | 0.75 | 8.4 | 14.4% -> 14.3% | 0.995 | 0.20 | 0.114 -> 0.112 | 0.130 -> 0.128 | 0.15 | - -> 6.31 | - | - | - | - | - | - | 110 -> 32 | time |
|
||||
| 6jgj | open | pass | P 21 21 21 | 0.65 | 14.7 -> 15.1 | 7.6% -> 7.4% | 0.999 | 0.28 -> 0.37 | 0.168 -> 0.163 | 0.171 -> 0.167 | 0.07 -> 0.05 | - -> 2.59 | - | - | - | - | - | - | 52 -> 30 | time |
|
||||
| 6moj | open | pass | I 41 2 2 | 2.43 | 8.3 -> 8.4 | 52.6% -> 51.5% | 0.998 | 0.08 -> 0.14 | 0.275 -> 0.249 | 0.285 -> 0.258 | 0.37 -> 0.20 | - -> 1.16 | - | - | - | - | - | - | 124 -> 38 | rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 6nen | open | pass | P 3 1 2 | 1.72 -> 1.77 | 6.3 -> 6.1 | 26.9% -> 26.2% | 0.997 | 0.07 -> 0.17 | 0.210 -> 0.208 | 0.212 -> 0.217 | 0.08 -> 0.12 | - -> 0.25 | - | - | - | - | - | - | 24 -> 12 | d_min, time |
|
||||
| 6o2h | open | pass | P 1 | 1.10 | 20.8 -> 23.9 | 7.2% -> 7.0% | 0.978 -> 0.977 | 0.74 | 0.099 -> 0.096 | 0.131 -> 0.129 | 0.21 -> 0.13 | - -> 0.11 | - | - | - | - | - | - | 16 -> 9 | isa, radial_misfit |
|
||||
| 6oel | open | pass | F 41 3 2 | 2.85 | 9.9 -> 10.3 | 36.6% -> 36.1% | 0.998 | 0.00 -> 0.09 | 0.248 | 0.255 | 0.14 -> 0.13 | - -> 0.61 | - | - | - | - | - | - | 57 -> 20 | time |
|
||||
| 6p8p | open | pass | P 4 | 1.47 -> 1.45 | 15.3 -> 16.0 | 12.4% -> 13.6% | 0.998 | 0.14 -> 0.12 | 0.192 -> 0.191 | 0.209 -> 0.203 | 0.18 -> 0.11 | - -> 1.89 | - | - | - | - | - | - | 25 -> 15 | r_meas, radial_misfit, rfree, time |
|
||||
| 6pb3 | open | pass | P 6 | 1.85 -> 1.84 | 24.6 -> 24.8 | 6.3% -> 6.6% | 1.000 | 0.17 -> 0.11 | 0.215 -> 0.214 | 0.233 -> 0.227 | 0.14 -> 0.10 | - -> 10.52 | - | - | - | - | - | - | 34 -> 24 | r_meas, rfree |
|
||||
| 6pxb | open | pass | P 31 1 2 | 1.39 -> 1.41 | 12.0 | 8.8% -> 8.7% | 0.999 | 0.23 -> 0.27 | 0.245 -> 0.239 | 0.277 | 0.31 -> 0.24 | - -> 0.65 | - | - | - | - | - | - | 38 -> 11 | rmodel_shell_scaled, radial_misfit, time |
|
||||
| 6pxc | open | pass | I 2 2 2 | 1.43 | 10.1 -> 10.5 | 8.5% -> 7.7% | 0.996 -> 0.998 | 0.23 -> 0.24 | 0.209 | 0.215 -> 0.214 | 0.17 | - -> 0.67 | - | - | - | - | - | - | 36 -> 9 | r_meas, time |
|
||||
| 6qaj | open | pass | C 2 2 21 | 2.70 -> 2.78 | 13.1 -> 12.8 | 24.6% -> 24.5% | 0.997 -> 0.999 | 0.41 -> 0.47 | 0.376 -> 0.320 | 0.390 -> 0.331 | 0.48 -> 0.19 | - -> 4.32 | - | - | - | - | - | - | 67 -> 15 | d_min, rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 6r72 | open | pass | P 1 21 1 | 4.39 | 15.7 -> 16.6 | 14.8% -> 16.5% | 0.999 -> 1.000 | 1.32 -> 1.47 | 0.374 -> 0.363 | 0.383 -> 0.369 | 0.06 -> 0.04 | - -> 0.14 | - | - | - | - | - | - | 29 -> 18 | isa, r_meas, rmodel_shell_scaled, rfree, time |
|
||||
| 6rlr | open | pass | P 1 | 2.07 -> 1.94 | 13.2 -> 16.3 | 11.0% -> 12.1% | 0.998 | 0.03 -> 0.08 | 0.249 | 0.258 -> 0.255 | 0.08 | - -> 0.69 | - | - | - | - | - | - | 18 -> 10 | d_min, isa, r_meas |
|
||||
| 6s1u | open | pass | P 1 21 1 | 1.75 -> 1.76 | 13.7 -> 13.4 | 22.4% -> 22.2% | 0.993 -> 0.991 | 0.13 | 0.204 -> 0.201 | 0.208 -> 0.199 | 0.09 -> 0.11 | - -> 0.59 | - | - | - | - | - | - | 36 -> 10 | rfree, time |
|
||||
| 6toc | open | pass | P 42 2 2 | 1.64 -> 1.65 | 24.3 -> 25.1 | 9.4% -> 9.8% | 1.000 | 0.30 -> 0.34 | 0.276 -> 0.277 | 0.269 -> 0.272 | 0.14 -> 0.17 | - -> 0.54 | - | - | - | - | - | - | 49 -> 7 | time |
|
||||
| 6ttn | open | pass | P 21 21 21 | 1.08 -> 1.05 | 14.5 | 10.7% -> 10.4% | 0.999 | 0.41 -> 0.13 | 0.132 -> 0.134 | 0.155 -> 0.143 | 0.16 -> 0.09 | - -> 8.31 | - | - | - | - | - | - | 48 -> 36 | d_min, completeness, cell_dev_pct, radial_misfit, rfree |
|
||||
| 6u7g | open | pass | P 1 21 1 | 1.92 -> 1.89 | 13.2 -> 13.5 | 8.3% -> 7.7% | 0.998 | 0.13 -> 0.09 | 0.201 -> 0.197 | 0.206 -> 0.200 | 0.14 -> 0.10 | - -> 1.59 | - | - | - | - | - | - | 70 -> 13 | r_meas, completeness, rfree, time |
|
||||
| 6ukf | open | pass | P 1 21 1 | 0.95 | 9.4 -> 9.9 | 10.7% -> 9.8% | 0.997 -> 0.998 | 0.07 | 0.166 -> 0.164 | 0.162 -> 0.159 | 0.09 -> 0.02 | - -> 2.38 | - | - | - | - | - | - | 54 -> 35 | isa, r_meas, radial_misfit, time |
|
||||
| 6vww | open | pass | P 63 | 2.00 -> 1.99 | 8.6 -> 8.0 | 15.9% -> 16.4% | 0.993 | 0.20 | 0.239 -> 0.240 | 0.241 -> 0.243 | 0.10 -> 0.12 | - -> 0.66 | - | - | - | - | - | - | 24 -> 12 | isa, time |
|
||||
| 6w4h | open | pass | P 31 2 1 | 1.62 | 18.4 -> 18.5 | 7.7% -> 7.6% | 0.999 | 0.02 | 0.163 | 0.168 -> 0.169 | 0.15 -> 0.17 | - -> 4.71 | - | - | - | - | - | - | 69 -> 23 | time |
|
||||
| 6w75 | open | pass | P 31 2 1 | 1.68 -> 1.69 | 15.8 -> 15.9 | 11.9% | 0.999 | 0.01 -> 0.02 | 0.177 -> 0.175 | 0.185 -> 0.187 | 0.13 -> 0.17 | - -> 3.65 | - | - | - | - | - | - | 92 -> 25 | time |
|
||||
| 6wzo | open | pass | P 1 | 1.06 -> 1.04 | 16.9 | 5.8% -> 6.1% | 0.998 -> 0.999 | 0.04 -> 0.05 | 0.179 -> 0.174 | 0.186 -> 0.175 | 0.24 -> 0.12 | - -> 2.78 | - | - | - | - | - | - | 57 -> 38 | r_meas, completeness, rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 6yqf | open | pass | P 21 21 2 | 3.05 -> 3.15 | 3.9 -> 5.4 | 50.3% -> 56.8% | 0.988 -> 0.994 | 0.71 -> 0.67 | 0.432 -> 0.454 | 0.470 -> 0.504 | 0.33 -> 0.19 | - -> 0.29 | - | - | - | - | - | - | 24 -> 51 | d_min, isa, r_meas, cc_half, rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 6z8o | open | pass | P 1 21 1 | 2.23 -> 2.16 | 13.8 -> 14.5 | 17.1% -> 19.0% | 0.995 | 0.63 -> 0.61 | 0.290 -> 0.284 | 0.295 -> 0.289 | 0.09 -> 0.06 | - -> 1.19 | - | - | - | - | - | - | 62 -> 12 | d_min, isa, r_meas, completeness, rmodel_shell_scaled, rfree, time |
|
||||
| 6z9g | open | fail -> pass | P 1 21 1 | 1.60 -> 1.62 | 14.6 -> 10.7 | 11.5% -> 15.9% | 0.997 -> 0.995 | 22.53 -> 0.25 | 0.533 -> 0.217 | 0.542 -> 0.219 | 0.18 -> 0.09 | - -> 2.39 | - | - | - | - | - | - | 90 -> 39 | verdict fail->pass, lattice, isa, r_meas, completeness, cell_dev_pct, rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 6ze4 | open | pass | P 21 21 21 | 1.30 -> 1.29 | 9.2 -> 10.5 | 20.4% -> 20.5% | 0.992 -> 0.988 | 0.59 -> 0.48 | 0.232 -> 0.222 | 0.237 -> 0.226 | 0.11 -> 0.06 | - -> 1.73 | - | - | - | - | - | - | 73 -> 36 | isa, rmodel_shell_scaled, rfree, time |
|
||||
| 6zqr | open | pass | P 4 | 1.79 -> 1.77 | 8.7 -> 8.9 | 19.6% -> 20.0% | 0.996 -> 0.995 | 0.40 -> 0.33 | 0.190 -> 0.197 | 0.198 -> 0.202 | 0.12 -> 0.15 | - -> 1.42 | - | - | - | - | - | - | 45 -> 12 | rmodel_shell_scaled, time |
|
||||
| 6zqy | open | pass | P 4 | 1.72 -> 1.69 | 13.8 -> 13.0 | 18.5% -> 22.0% | 0.997 -> 0.994 | 0.12 | 0.212 -> 0.209 | 0.226 -> 0.217 | 0.20 -> 0.15 | - -> 1.44 | - | - | - | - | - | - | 62 -> 22 | d_min, isa, r_meas, radial_misfit, rfree, time |
|
||||
| 6zr0 | open | pass | P 4 | 1.73 -> 1.64 | 24.3 -> 25.2 | 11.1% -> 12.9% | 0.997 -> 0.993 | 0.08 -> 0.07 | 0.217 -> 0.215 | 0.224 -> 0.218 | 0.14 -> 0.07 | - -> 1.82 | - | - | - | - | - | - | 61 -> 20 | d_min, r_meas, completeness, radial_misfit, rfree, time |
|
||||
| 7arr | open | pass | P 1 | 0.92 | 17.3 -> 18.7 | 4.7% -> 3.8% | 0.993 -> 0.999 | 0.28 -> 0.14 | 0.155 | 0.175 -> 0.162 | 0.27 -> 0.17 | - -> -0.41 | - | - | - | - | - | - | 41 -> 22 | isa, r_meas, cc_half, radial_misfit, rfree, time |
|
||||
| 7atg | open | pass | P 21 21 21 | 0.60 | 22.5 -> 23.1 | 5.1% | 0.995 -> 0.994 | 0.08 -> 0.02 | 0.135 -> 0.125 | 0.199 -> 0.160 | 0.23 -> 0.13 | - -> 6.77 | - | - | - | - | - | - | 41 -> 29 | rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 7bgt | open | pass | P 1 | 1.77 -> 1.79 | 14.7 -> 16.9 | 15.0% -> 13.6% | 0.989 -> 0.993 | 0.32 -> 0.36 | 0.197 -> 0.195 | 0.207 | 0.12 | - -> 0.22 | - | - | - | - | - | - | 32 -> 11 | isa, r_meas, time |
|
||||
| 7brr | open | pass | P 1 21 1 | 1.27 -> 1.24 | 15.8 -> 16.4 | 6.5% -> 6.7% | 0.999 | 0.09 -> 0.13 | 0.191 -> 0.192 | 0.195 -> 0.190 | 0.15 -> 0.09 | - -> 3.08 | - | - | - | - | - | - | 25 -> 12 | d_min, completeness, radial_misfit, rfree, time |
|
||||
| 7dkp | open | pass | P 1 21 1 | 1.18 -> 1.20 | 26.3 -> 26.5 | 11.7% -> 12.2% | 0.998 | 0.06 -> 0.14 | 0.158 -> 0.159 | 0.161 -> 0.163 | 0.08 -> 0.12 | - -> 2.71 | - | - | - | - | - | - | 31 -> 19 | completeness, time |
|
||||
| 7k1l | open | unscored | P 6 | 1.91 | 9.9 | 16.2% | 0.994 | 0.27 -> 0.28 | 0.264 -> 0.260 | 0.271 -> 0.268 | 0.09 -> 0.10 | - -> 0.80 | - | - | - | - | - | - | 24 -> 13 | time |
|
||||
| 7kcn | open | pass | P 41 2 2 | 1.39 | 11.7 -> 11.8 | 7.8% -> 7.9% | 0.999 | 0.07 -> 0.04 | 0.172 | 0.189 -> 0.190 | 0.15 -> 0.16 | - -> 8.35 | - | - | - | - | - | - | 39 -> 17 | time |
|
||||
| 7l6j | open | pass | I 41 3 2 | 1.51 -> 1.50 | 10.5 | 21.1% -> 21.0% | 0.999 | 0.00 | 0.172 | 0.186 -> 0.188 | 0.17 -> 0.18 | - -> 29.15 | - | - | - | - | - | - | 108 -> 32 | time |
|
||||
| 7mzt | open | fail -> unscored | P 21 21 21 | 3.25 -> 3.18 | 3.4 -> 3.9 | 269.6% -> 406.2% | 0.968 -> 0.977 | 0.56 -> 0.63 | 0.452 -> 0.413 | 0.466 -> 0.417 | 0.16 -> 0.11 | - -> -0.14 | - | - | - | - | - | - | 37 -> 33 | verdict fail->unscored, d_min, isa, r_meas, cc_half, rmodel_shell_scaled, radial_misfit, rfree |
|
||||
| 7n0i | open | pass | P 21 21 21 | 1.65 -> 1.64 | 10.7 -> 10.5 | 14.0% | 0.998 | 0.22 -> 0.28 | 0.290 -> 0.267 | 0.310 -> 0.292 | 0.36 -> 0.27 | - -> 0.61 | - | - | - | - | - | - | 58 -> 19 | rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 7n2s | open | pass | P 1 21 1 | 2.57 -> 2.56 | 9.6 -> 14.5 | 52.8% -> 58.6% | 0.903 -> 0.927 | 0.07 -> 0.04 | 0.315 -> 0.301 | 0.334 -> 0.316 | 0.14 -> 0.12 | - -> 0.11 | - | - | - | - | - | - | 42 -> 10 | isa, r_meas, cc_half, rmodel_shell_scaled, rfree, time |
|
||||
| 7orr | open | pass | I 2 3 | 1.65 -> 1.64 | 25.5 -> 25.4 | 6.4% -> 7.1% | 1.000 | 0.03 -> 0.06 | 0.181 -> 0.183 | 0.190 -> 0.198 | 0.14 -> 0.15 | - -> 5.08 | - | - | - | - | - | - | 23 -> 15 | r_meas, rfree |
|
||||
| 7os3 | open | pass | P 21 21 21 | 1.96 | 24.1 -> 23.8 | 8.4% -> 8.9% | 0.999 | 0.10 -> 0.17 | 0.182 -> 0.183 | 0.196 -> 0.192 | 0.18 -> 0.13 | - -> 5.74 | - | - | - | - | - | - | 40 -> 22 | r_meas, time |
|
||||
| 7ou1 | open | pass | P 1 21 1 | 1.41 -> 1.39 | 9.5 -> 9.0 | 16.1% -> 15.7% | 0.991 | 0.04 -> 0.05 | 0.206 -> 0.202 | 0.211 -> 0.209 | 0.09 -> 0.10 | - -> 1.48 | - | - | - | - | - | - | 44 -> 15 | isa, completeness, time |
|
||||
| 7ph1 | open | pass | I 2 2 2 | 1.08 -> 1.09 | 15.9 -> 16.1 | 11.4% -> 11.2% | 0.998 | 0.12 | 0.160 -> 0.155 | 0.178 -> 0.175 | 0.17 -> 0.16 | - -> 3.23 | - | - | - | - | - | - | 87 -> 46 | rmodel_shell_scaled, time |
|
||||
| 7pq7 | open | pass | C 1 2 1 | 1.38 -> 1.39 | 13.7 -> 13.6 | 7.1% -> 6.6% | 0.998 | 0.22 -> 0.30 | 0.189 -> 0.188 | 0.209 -> 0.215 | 0.18 -> 0.19 | - -> 2.28 | - | - | - | - | - | - | 16 -> 9 | r_meas, rfree |
|
||||
| 7qij | open | pass | P 21 21 21 | 3.59 -> 3.62 | 9.4 -> 9.2 | 24.5% | 0.996 | 0.36 -> 0.42 | 0.374 -> 0.349 | 0.381 -> 0.360 | 0.07 -> 0.12 | - -> 0.17 | - | - | - | - | - | - | 94 -> 57 | rmodel_shell_scaled, rfree, time |
|
||||
| 7qis | open | pass | P 61 | 1.75 -> 1.76 | 17.2 | 20.9% -> 21.2% | 0.997 | 0.05 -> 0.06 | 0.169 -> 0.166 | 0.192 -> 0.193 | 0.20 | - -> 1.41 | - | - | - | - | - | - | 38 -> 20 | time |
|
||||
| 7raa | open | pass | P 41 21 2 | 2.59 -> 2.64 | 11.0 -> 10.4 | 17.1% -> 17.8% | 1.000 | 0.04 -> 0.10 | 0.299 -> 0.297 | 0.336 -> 0.335 | 0.18 | - -> 0.49 | - | - | - | - | - | - | 186 -> 19 | isa, time |
|
||||
| 7ris | open | pass | P 31 2 1 | 1.51 | 30.2 -> 30.9 | 10.0% -> 10.1% | 1.000 | 0.08 -> 0.07 | 0.196 -> 0.189 | 0.195 -> 0.189 | 0.03 -> 0.04 | - -> 2.20 | - | - | - | - | - | - | 29 -> 17 | rmodel_shell_scaled, rfree, time |
|
||||
| 7rji | open | pass | R 3 2:H | 1.49 -> 1.47 | 8.3 -> 7.8 | 13.4% -> 15.6% | 0.999 | 0.27 -> 0.12 | 0.206 -> 0.208 | 0.199 -> 0.197 | 0.12 -> 0.08 | - -> 6.80 | - | - | - | - | - | - | 30 -> 17 | isa, r_meas, time |
|
||||
| 7t5t | open | pass | P 42 21 2 | 1.24 | 16.5 | 6.6% -> 6.5% | 0.996 -> 0.999 | 0.04 -> 0.06 | 0.164 -> 0.163 | 0.193 | 0.25 | - -> 11.25 | - | - | - | - | - | - | 63 -> 17 | time |
|
||||
| 7tcd | open | pass | C 1 2 1 | 1.72 -> 1.67 | 15.0 -> 18.0 | 10.0% -> 8.8% | 0.999 | 0.20 -> 0.26 | 0.205 -> 0.191 | 0.211 -> 0.212 | 0.14 -> 0.21 | - -> 1.11 | - | - | - | - | - | - | 32 -> 17 | d_min, isa, r_meas, completeness, rmodel_shell_scaled, radial_misfit, time |
|
||||
| 7yzx | open | pass | P 63 2 2 | 1.88 -> 1.87 | 10.4 -> 10.5 | 20.5% -> 20.4% | 0.998 | 0.25 -> 0.24 | 0.211 | 0.214 | 0.10 -> 0.11 | - -> 1.41 | - | - | - | - | - | - | 53 -> 28 | time |
|
||||
| 8a1a | open | pass | P 61 | 1.95 -> 1.91 | 17.9 -> 19.2 | 41.5% -> 52.5% | 0.998 | 0.42 -> 0.26 | 0.171 -> 0.177 | 0.177 -> 0.179 | 0.06 -> 0.03 | - -> 1.79 | - | - | - | - | - | - | 100 -> 52 | d_min, isa, r_meas, rmodel_shell_scaled, time |
|
||||
| 8agq | open | pass | C 1 2 1 | 0.97 | 14.0 -> 14.1 | 9.8% -> 9.2% | 0.998 -> 0.999 | 0.30 -> 0.34 | 0.180 -> 0.182 | 0.204 -> 0.207 | 0.21 -> 0.22 | - -> 6.50 | - | - | - | - | - | - | 29 -> 14 | r_meas, time |
|
||||
| 8dqb | open | pass | I 2 3 | 2.06 -> 2.04 | 22.3 -> 22.1 | 13.5% -> 14.3% | 0.996 | 0.08 | 0.230 | 0.240 -> 0.237 | 0.13 -> 0.11 | - -> 3.07 | - | - | - | - | - | - | 26 -> 9 | r_meas, time |
|
||||
| 8dz7 | open | pass | P 21 21 21 | 1.19 | 33.7 -> 35.1 | 3.2% -> 3.0% | 0.998 -> 0.999 | 0.08 | 0.119 -> 0.118 | 0.129 -> 0.128 | 0.07 | - -> 5.14 | - | - | - | - | - | - | 15 -> 8 | r_meas |
|
||||
| 8egn | open | pass | P 21 21 21 | 1.64 -> 1.63 | 22.7 -> 21.7 | 6.1% -> 6.5% | 0.999 | 0.07 -> 0.12 | 0.200 -> 0.198 | 0.214 -> 0.211 | 0.16 -> 0.14 | - -> 2.51 | - | - | - | - | - | - | 15 -> 10 | r_meas, completeness |
|
||||
| 8iya | open | pass | C 1 2 1 | 1.94 -> 1.90 | 5.8 | 20.9% -> 22.4% | 0.988 | 0.16 -> 0.33 | 0.247 -> 0.248 | 0.236 -> 0.235 | 0.04 -> 0.05 | - -> 0.23 | - | - | - | - | - | - | 12 -> 7 | r_meas |
|
||||
| 8k1g | open | pass | I 4 2 2 | 1.63 -> 1.62 | 11.6 | 25.7% -> 25.6% | 0.999 -> 0.998 | 0.82 -> 0.76 | 0.219 -> 0.206 | 0.236 -> 0.225 | 0.23 -> 0.19 | - -> 2.24 | - | - | - | - | - | - | 48 -> 22 | rmodel_shell_scaled, rfree, time |
|
||||
| 8oic | open | pass | P 1 | 2.37 -> 2.34 | 19.6 -> 19.3 | 20.4% -> 24.7% | 0.991 -> 0.988 | 0.02 -> 0.03 | 0.234 -> 0.238 | 0.250 -> 0.248 | 0.15 -> 0.11 | - -> 0.41 | - | - | - | - | - | - | 42 -> 22 | r_meas, time |
|
||||
| 8owm | open | pass | P 1 | 1.48 -> 1.50 | 22.1 -> 21.1 | 10.1% -> 10.8% | 0.998 | 0.02 -> 0.06 | 0.166 -> 0.164 | 0.181 -> 0.174 | 0.14 -> 0.10 | - -> 1.32 | - | - | - | - | - | - | 69 -> 43 | r_meas, rfree, time |
|
||||
| 8pqd | open | pass | P 21 21 21 | 1.30 -> 1.31 | 14.6 | 9.0% -> 8.9% | 0.998 -> 0.999 | 0.04 -> 0.06 | 0.185 -> 0.184 | 0.205 -> 0.204 | 0.23 -> 0.20 | - -> 3.53 | - | - | - | - | - | - | 73 -> 41 | time |
|
||||
| 8qaw | open | pass | R 3:H | 1.30 | 10.9 -> 10.8 | 12.2% -> 12.3% | 0.997 -> 0.998 | 0.04 -> 0.06 | 0.144 -> 0.142 | 0.156 -> 0.155 | 0.19 -> 0.18 | - -> 11.32 | - | - | - | - | - | - | 326 -> 108 | time |
|
||||
| 8qj5 | open | pass | P 1 21 1 | 1.35 -> 1.43 | 8.4 -> 8.3 | 17.1% -> 16.5% | 0.996 | 0.45 -> 0.51 | 0.189 -> 0.181 | 0.203 -> 0.197 | 0.14 -> 0.13 | - -> 1.41 | - | - | - | - | - | - | 59 -> 14 | d_min, rmodel_shell_scaled, rfree, time |
|
||||
| 8qq7 | open | pass | P 62 2 2 | 3.16 -> 3.15 | 6.3 -> 6.0 | 18.8% -> 20.0% | 0.993 -> 0.998 | 0.65 -> 0.61 | 0.457 -> 0.399 | 0.464 -> 0.402 | 0.50 -> 0.38 | - -> 0.66 | - | - | - | - | - | - | 17 -> 9 | r_meas, cc_half, rmodel_shell_scaled, radial_misfit, rfree |
|
||||
| 8r5r | open | pass | P 21 21 21 | 2.89 -> 2.79 | 15.1 -> 18.9 | 27.8% -> 27.4% | 0.997 | 0.11 -> 0.16 | 0.274 -> 0.264 | 0.290 -> 0.287 | 0.14 -> 0.16 | - -> 0.31 | - | - | - | - | - | - | 35 -> 15 | d_min, isa, rmodel_shell_scaled, time |
|
||||
| 8rud | open | pass | P 1 21 1 | 1.70 -> 1.65 | 12.3 -> 12.4 | 29.5% -> 32.2% | 0.992 | 0.40 -> 0.42 | 0.244 -> 0.247 | 0.255 -> 0.256 | 0.11 -> 0.09 | - -> 0.77 | - | - | - | - | - | - | 284 -> 42 | d_min, r_meas, time |
|
||||
| 8s38 | open | pass | I 2 2 2 | 1.63 -> 1.64 | 22.3 -> 22.5 | 8.6% -> 8.7% | 0.999 | 0.16 -> 0.17 | 0.181 -> 0.179 | 0.186 -> 0.185 | 0.14 | - -> 2.30 | - | - | - | - | - | - | 118 -> 32 | time |
|
||||
| 8sa8 | open | pass | I 1 2 1 | 1.11 | 22.0 -> 21.7 | 11.2% -> 11.8% | 0.999 | 0.02 -> 0.01 | 0.158 -> 0.155 | 0.175 -> 0.170 | 0.17 -> 0.15 | - -> 3.79 | - | - | - | - | - | - | 99 -> 45 | time |
|
||||
| 8sqo | open | pass | P 4 3 2 | 1.33 -> 1.31 | 14.2 -> 13.9 | 22.1% -> 25.2% | 1.000 | 0.13 -> 0.15 | 0.183 -> 0.185 | 0.211 -> 0.200 | 0.20 -> 0.11 | - -> 6.55 | - | - | - | - | - | - | 72 -> 18 | r_meas, radial_misfit, rfree, time |
|
||||
| 8sqq | open | pass | F 4 3 2 | 1.90 | 17.6 -> 17.8 | 25.1% -> 25.2% | 0.999 | 0.17 -> 0.18 | 0.211 | 0.206 | 0.10 -> 0.11 | - -> 3.17 | - | - | - | - | - | - | 73 -> 52 | time |
|
||||
| 8sqt | open | pass | F 4 3 2 | 1.89 -> 1.83 | 29.6 -> 24.1 | 18.9% -> 21.0% | 0.999 -> 1.000 | 0.11 -> 0.10 | 0.221 -> 0.222 | 0.224 -> 0.225 | 0.12 -> 0.15 | - -> 2.88 | - | - | - | - | - | - | 30 -> 23 | d_min, isa, r_meas |
|
||||
| 8t7r | open | pass | C 1 2 1 | 3.22 -> 3.30 | 9.9 -> 10.2 | 35.3% -> 32.7% | 0.984 -> 0.985 | 0.28 -> 0.39 | 0.288 -> 0.281 | 0.288 -> 0.285 | 0.06 -> 0.10 | - -> 0.37 | - | - | - | - | - | - | 66 -> 39 | d_min, r_meas, rmodel_shell_scaled, time |
|
||||
| 8tha | open | pass | P 62 | 1.34 | 25.9 -> 26.4 | 13.7% -> 15.8% | 1.000 -> 0.999 | 0.17 -> 0.20 | 0.208 -> 0.209 | 0.225 -> 0.218 | 0.16 -> 0.09 | - -> 4.30 | - | - | - | - | - | - | 23 -> 13 | r_meas, radial_misfit, rfree, time |
|
||||
| 8tyy | open | pass | F 4 3 2 | 1.28 -> 1.27 | 16.3 -> 16.1 | 16.5% -> 17.1% | 0.999 | 0.06 -> 0.02 | 0.160 -> 0.161 | 0.180 -> 0.177 | 0.15 | - -> 13.31 | - | - | - | - | - | - | 179 -> 90 | time |
|
||||
| 8v4o | open | pass | P 61 2 2 | 2.10 -> 2.12 | 15.5 -> 15.4 | 31.9% -> 30.8% | 0.998 | 0.06 | 0.241 -> 0.235 | 0.253 -> 0.251 | 0.16 -> 0.15 | - -> 0.97 | - | - | - | - | - | - | 92 -> 29 | rmodel_shell_scaled, time |
|
||||
| 8xbp | open | pass | C 1 2 1 | 1.72 -> 1.68 | 16.2 -> 18.8 | 10.8% -> 11.0% | 0.999 | 0.15 -> 0.19 | 0.315 -> 0.312 | 0.325 -> 0.330 | 0.15 -> 0.19 | - -> 1.16 | - | - | - | - | - | - | 22 -> 24 | isa, completeness, rfree |
|
||||
| 8xtf | open | pass | R 3 2:H | 1.84 | 7.5 -> 7.7 | 85.8% -> 82.2% | 0.987 -> 0.988 | 0.22 -> 0.23 | 0.191 -> 0.193 | 0.185 -> 0.186 | 0.04 | - -> 1.45 | - | - | - | - | - | - | 38 -> 52 | time |
|
||||
| 8xtg | open | pass | P 31 2 1 | 1.54 -> 1.55 | 7.2 -> 7.6 | 27.4% -> 26.7% | 0.994 | 0.05 | 0.279 -> 0.273 | 0.287 | 0.13 -> 0.15 | - -> 0.88 | - | - | - | - | - | - | 52 -> 28 | isa, rmodel_shell_scaled, time |
|
||||
| 8y74 | open | pass | C 1 2 1 | 1.71 -> 1.69 | 8.8 | 12.3% -> 13.0% | 0.997 | 0.34 -> 0.36 | 0.212 -> 0.214 | 0.224 | 0.12 -> 0.10 | - -> 1.21 | - | - | - | - | - | - | 24 -> 7 | r_meas, time |
|
||||
| 8ys9 | open | pass | P 21 21 21 | 1.35 -> 1.31 | 15.4 -> 15.3 | 11.0% -> 13.2% | 0.999 | 0.16 -> 0.20 | 0.173 -> 0.176 | 0.191 -> 0.189 | 0.14 -> 0.11 | - -> 3.11 | - | - | - | - | - | - | 31 -> 20 | d_min, r_meas, time |
|
||||
| 9b22 | open | pass | P 1 21 1 | 1.18 -> 1.14 | 16.3 -> 16.4 | 6.0% -> 6.2% | 0.999 | 0.07 | 0.161 -> 0.159 | 0.181 -> 0.165 | 0.20 -> 0.10 | - -> 0.06 | - | - | - | - | - | - | 21 -> 12 | d_min, completeness, radial_misfit, rfree |
|
||||
| 9bn8 | open | pass | P 41 | 1.20 -> 1.19 | 19.8 | 7.5% -> 8.0% | 0.999 -> 1.000 | 0.09 -> 0.10 | 0.151 | 0.172 -> 0.162 | 0.17 -> 0.13 | - -> 3.80 | - | - | - | - | - | - | 30 -> 15 | r_meas, rfree, time |
|
||||
| 9c18 | open | pass | P 1 | 1.76 -> 1.74 | 10.2 -> 10.5 | 23.4% -> 26.1% | 0.988 | 0.61 -> 0.74 | 0.222 -> 0.219 | 0.221 -> 0.219 | 0.06 -> 0.07 | - -> 0.73 | - | - | - | - | - | - | 13 -> 6 | r_meas |
|
||||
| 9chw | open | pass | P 61 | 1.60 | 20.9 -> 21.2 | 5.9% -> 5.7% | 0.998 | 0.04 | 0.180 | 0.185 -> 0.184 | 0.13 -> 0.14 | - -> 1.75 | - | - | - | - | - | - | 71 -> 22 | time |
|
||||
| 9crw | open | pass | P 1 21 1 | 2.29 -> 2.28 | 15.5 -> 15.4 | 8.7% | 0.999 | 0.23 -> 0.24 | 0.257 -> 0.247 | 0.271 -> 0.265 | 0.14 -> 0.12 | - -> 0.68 | - | - | - | - | - | - | 19 -> 11 | rmodel_shell_scaled, rfree |
|
||||
| 9e2t | open | pass | P 1 | 2.33 -> 2.35 | 6.9 -> 6.6 | 28.1% -> 29.2% | 0.990 -> 0.991 | 0.06 -> 0.10 | 0.248 -> 0.229 | 0.254 -> 0.232 | 0.11 -> 0.05 | - -> 0.38 | - | - | - | - | - | - | 70 -> 48 | rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 9ea5 | open | pass | P 1 21 1 | 1.64 -> 1.66 | 26.6 -> 26.7 | 17.9% -> 18.0% | 0.997 | 0.85 -> 0.11 | 0.198 -> 0.195 | 0.203 -> 0.201 | 0.11 | - -> 1.21 | - | - | - | - | - | - | 96 -> 16 | completeness, cell_dev_pct, time |
|
||||
| 9fcf | open | pass | P 4 | 1.81 -> 1.78 | 7.8 -> 7.1 | 28.6% -> 34.9% | 0.995 | 0.04 -> 0.21 | 0.285 | 0.293 -> 0.292 | 0.06 -> 0.07 | - -> 0.79 | - | - | - | - | - | - | 142 -> 39 | isa, r_meas, time |
|
||||
| 9fcg | open | pass | P 4 | 1.39 -> 1.38 | 9.3 -> 9.5 | 15.4% -> 14.6% | 0.996 -> 0.997 | 0.10 -> 0.08 | 0.179 -> 0.180 | 0.184 -> 0.189 | 0.09 -> 0.11 | - -> 2.35 | - | - | - | - | - | - | 138 -> 36 | r_meas, time |
|
||||
| 9fhc | open | pass | I 2 3 | 1.97 -> 1.89 | 11.6 -> 11.9 | 22.4% -> 16.7% | 0.995 -> 0.999 | 0.25 -> 0.27 | 0.245 -> 0.239 | 0.250 -> 0.246 | 0.04 -> 0.10 | - -> 1.36 | - | - | - | - | - | - | 104 -> 31 | d_min, r_meas, completeness, rmodel_shell_scaled, radial_misfit, time |
|
||||
| 9gdj | open | pass | P 41 21 2 | 1.40 -> 1.39 | 12.8 -> 12.9 | 10.9% -> 11.4% | 0.999 | 0.16 -> 0.04 | 0.153 -> 0.154 | 0.178 -> 0.171 | 0.24 -> 0.19 | - -> 2.89 | - | - | - | - | - | - | 355 -> 102 | rfree, time |
|
||||
| 9gjx | open | pass | P 1 21 1 | 2.15 -> 2.07 | 35.2 -> 39.2 | 12.5% -> 16.2% | 0.999 -> 0.997 | 0.13 -> 0.16 | 0.188 -> 0.192 | 0.225 | 0.18 -> 0.15 | - -> 0.80 | - | - | - | - | - | - | 33 -> 17 | d_min, isa, r_meas, completeness, time |
|
||||
| 9gqg | open | pass | P 31 2 1 | 1.82 | 13.2 -> 11.9 | 11.4% -> 12.3% | 0.998 | 0.01 | 0.233 | 0.241 -> 0.250 | 0.11 -> 0.15 | - -> 1.26 | - | - | - | - | - | - | 59 -> 13 | isa, r_meas, rfree, time |
|
||||
| 9h0q | open | pass | R 3 2:H | 2.13 -> 2.11 | 18.7 -> 18.2 | 15.4% -> 17.0% | 0.998 | 0.41 -> 0.42 | 0.203 -> 0.206 | 0.233 -> 0.218 | 0.18 -> 0.12 | - -> 1.16 | - | - | - | - | - | - | 72 -> 29 | r_meas, radial_misfit, rfree, time |
|
||||
| 9hnc | open | pass -> fail | P 1 2 1 -> P 1 21 1 | 1.65 -> 1.64 | 1.4 -> 13.6 | 52.8% -> 12.8% | 0.882 -> 0.998 | 0.13 -> 0.07 | 0.461 -> 0.245 | 0.465 -> 0.254 | 0.16 -> 0.15 | - -> 0.88 | - | - | - | - | - | - | 80 -> 29 | verdict pass->fail, space group, isa, r_meas, cc_half, completeness, rmodel_shell_scaled, rfree, time |
|
||||
| 9hs7 | open | pass | P 61 | 1.68 -> 1.66 | 13.3 -> 11.5 | 11.8% | 0.999 | 0.08 -> 0.12 | 0.251 -> 0.210 | 0.279 -> 0.242 | 0.58 -> 0.36 | - -> 1.22 | - | - | - | - | - | - | 27 -> 19 | isa, rmodel_shell_scaled, radial_misfit, rfree |
|
||||
| 9i0a | open | pass | P 21 21 2 | 1.81 -> 1.80 | 13.8 -> 11.5 | 16.8% -> 20.8% | 0.999 -> 0.998 | 0.43 -> 0.36 | 0.228 -> 0.229 | 0.239 -> 0.233 | 0.17 -> 0.06 | - -> 0.91 | - | - | - | - | - | - | 59 -> 43 | isa, r_meas, radial_misfit, rfree, time |
|
||||
| 9i80 | open | pass | P 41 | 1.61 -> 1.59 | 6.7 -> 6.8 | 23.2% -> 24.5% | 0.991 -> 0.992 | 0.07 -> 0.11 | 0.216 -> 0.217 | 0.221 | 0.15 -> 0.13 | - -> 1.90 | - | - | - | - | - | - | 158 -> 36 | r_meas, time |
|
||||
| 9ig7 | open | pass | P 21 21 2 | 2.03 -> 2.02 | 11.0 | 18.7% -> 21.2% | 0.991 -> 0.992 | 0.17 -> 0.21 | 0.235 -> 0.231 | 0.255 -> 0.247 | 0.18 -> 0.08 | - -> 0.86 | - | - | - | - | - | - | 85 -> 63 | r_meas, radial_misfit, rfree, time |
|
||||
| 9jzo | open | pass | P 1 | 1.15 | 8.4 -> 8.3 | 9.2% -> 5.5% | 0.994 -> 0.997 | 0.22 -> 0.14 | 0.175 -> 0.181 | 0.175 -> 0.178 | 0.08 -> 0.04 | - -> 4.43 | - | - | - | - | - | - | 17 -> 13 | r_meas, rmodel_shell_scaled |
|
||||
| 9khr | open | pass | P 21 21 21 | 1.38 -> 1.40 | 9.4 -> 9.1 | 18.9% -> 18.7% | 0.994 | 0.12 -> 0.14 | 0.248 -> 0.241 | 0.261 -> 0.258 | 0.11 -> 0.13 | - -> 2.02 | - | - | - | - | - | - | 33 -> 11 | rmodel_shell_scaled, time |
|
||||
| 9mh4 | open | pass | P 21 3 | 2.78 | 13.8 | 20.2% -> 20.0% | 1.000 | 0.31 | 0.229 -> 0.227 | 0.232 -> 0.234 | 0.17 | - -> 1.00 | - | - | - | - | - | - | 29 -> 14 | time |
|
||||
| 9min | open | fail -> pass | P 21 21 2 -> P 21 21 21 | 1.87 -> 1.95 | 10.4 -> 10.1 | 26.6% -> 35.6% | 0.998 -> 0.997 | 36.97 -> 0.52 | 0.573 -> 0.269 | 0.578 -> 0.275 | 0.20 -> 0.08 | - -> 0.92 | - | - | - | - | - | - | 77 -> 73 | verdict fail->pass, space group, lattice, d_min, r_meas, cell_dev_pct, rmodel_shell_scaled, radial_misfit, rfree |
|
||||
| 9o0h | open | pass | P 21 21 21 | 2.01 | 6.1 -> 5.4 | 52.6% -> 67.7% | 0.985 | 0.25 -> 0.34 | 0.247 -> 0.241 | 0.255 -> 0.251 | 0.04 -> 0.07 | - -> 0.33 | - | - | - | - | - | - | 64 -> 46 | isa, r_meas, rmodel_shell_scaled, time |
|
||||
| 9p7q | open | pass | C 1 2 1 | 1.81 -> 1.78 | 10.6 -> 10.8 | 25.7% -> 29.5% | 0.988 -> 0.986 | 0.14 -> 0.13 | 0.270 -> 0.268 | 0.285 -> 0.281 | 0.03 -> 0.05 | - -> 0.72 | - | - | - | - | - | - | 15 -> 9 | r_meas |
|
||||
| 9pbb | open | pass | C 1 2 1 | 1.83 -> 1.80 | 14.5 -> 15.9 | 20.7% -> 21.6% | 0.995 -> 0.994 | 0.15 | 0.236 -> 0.231 | 0.236 -> 0.234 | 0.04 | - -> 0.41 | - | - | - | - | - | - | 19 -> 11 | isa, completeness, rmodel_shell_scaled |
|
||||
| 9q41 | open | pass | C 2 2 21 | 1.69 -> 1.68 | 7.8 -> 7.5 | 27.3% -> 31.7% | 0.984 -> 0.982 | 0.20 -> 0.21 | 0.187 -> 0.192 | 0.191 -> 0.192 | 0.09 -> 0.04 | - -> 0.35 | - | - | - | - | - | - | 57 -> 15 | r_meas, time |
|
||||
| 9q66 | open | pass | P 1 21 1 | 2.04 -> 2.07 | 13.0 | 31.7% -> 30.9% | 0.990 | 0.34 -> 0.39 | 0.204 -> 0.201 | 0.216 -> 0.214 | 0.09 -> 0.08 | - -> 0.66 | - | - | - | - | - | - | 68 -> 18 | time |
|
||||
| 9qw8 | open | pass | P 1 | 1.59 -> 1.69 | 11.3 -> 5.2 | 14.6% -> 27.0% | 0.994 -> 0.975 | 0.12 -> 0.67 | 0.237 -> 0.323 | 0.248 -> 0.330 | 0.10 -> 0.14 | - -> 0.32 | - | - | - | - | - | - | 73 -> 33 | d_min, isa, r_meas, cc_half, cell_dev_pct, rmodel_shell_scaled, rfree, time |
|
||||
| 9rci | open | pass | P 1 | 1.82 -> 1.69 | 6.0 -> 7.5 | 29.4% -> 21.3% | 0.942 -> 0.988 | 97.59 -> 0.33 | 0.576 -> 0.264 | 0.571 -> 0.270 | 0.09 | - -> 0.32 | - | - | - | - | - | - | 25 -> 12 | lattice, d_min, isa, r_meas, cc_half, completeness, cell_dev_pct, rmodel_shell_scaled, rfree, time |
|
||||
| 9rcs | open | pass | P 1 21 1 | 3.37 -> 3.28 | 6.0 -> 7.4 | 24.3% -> 23.1% | 0.992 -> 0.995 | 0.93 -> 0.85 | 0.383 -> 0.318 | 0.442 -> 0.342 | 0.19 -> 0.12 | - -> 0.45 | - | - | - | - | - | - | 55 -> 11 | d_min, isa, r_meas, rmodel_shell_scaled, radial_misfit, rfree, time |
|
||||
| 9rp9 | open | pass | C 1 2 1 | 1.91 -> 1.96 | 28.8 -> 28.6 | 16.1% -> 16.4% | 0.997 -> 0.998 | 0.16 -> 0.25 | 0.206 -> 0.202 | 0.224 -> 0.234 | 0.08 -> 0.12 | - -> 2.31 | - | - | - | - | - | - | 23 -> 12 | d_min, rfree, time |
|
||||
| 9sl0 | open | pass | P 21 21 21 | 1.38 -> 1.37 | 20.0 | 7.6% -> 8.0% | 1.000 | 0.37 -> 0.39 | 0.245 | 0.256 -> 0.254 | 0.15 | - -> 2.23 | - | - | - | - | - | - | 50 -> 33 | r_meas, time |
|
||||
| 9t6s | open | pass | P 21 21 21 | 1.76 -> 1.75 | 24.9 -> 28.4 | 10.5% -> 10.9% | 0.999 | 0.06 -> 0.41 | 0.220 -> 0.215 | 0.236 -> 0.231 | 0.03 | - -> 2.44 | - | - | - | - | - | - | 28 -> 17 | isa, cell_dev_pct, rmodel_shell_scaled, rfree, time |
|
||||
| 9upt | open | pass | P 6 | 2.03 | 6.4 -> 6.5 | 25.9% -> 24.4% | 0.988 -> 0.989 | 0.20 | 0.227 -> 0.218 | 0.229 -> 0.218 | 0.08 -> 0.09 | - -> 1.32 | - | - | - | - | - | - | 76 -> 16 | r_meas, rmodel_shell_scaled, rfree, time |
|
||||
| 9vyb | open | pass | P 21 21 21 | 1.71 -> 1.67 | 16.7 -> 22.2 | 8.0% -> 8.2% | 1.000 | 0.40 -> 0.41 | 0.245 -> 0.247 | 0.258 -> 0.254 | 0.07 | - -> 0.41 | - | - | - | - | - | - | 41 -> 28 | isa, completeness, time |
|
||||
| 9w3y | open | pass | P 21 21 21 | 1.20 -> 1.22 | 19.9 -> 18.6 | 23.4% -> 24.3% | 0.997 | 0.25 -> 0.33 | 0.186 -> 0.185 | 0.200 -> 0.196 | 0.11 -> 0.09 | - -> 4.90 | - | - | - | - | - | - | 17 -> 9 | isa |
|
||||
| 9yl4 | open | pass | P 21 21 21 | 3.61 | 9.5 -> 9.8 | 32.0% -> 31.0% | 0.985 -> 0.997 | 0.08 -> 0.07 | 0.295 -> 0.293 | 0.306 -> 0.302 | 0.07 -> 0.06 | - -> 5.78 | - | - | - | - | - | - | 85 -> 19 | cc_half, time |
|
||||
| 9yzk | open | pass | I 1 2 1 | 3.86 -> 3.87 | 7.8 -> 8.8 | 29.7% -> 31.9% | 0.996 -> 0.999 | 0.20 -> 0.26 | 0.375 -> 0.323 | 0.394 -> 0.331 | 0.29 -> 0.12 | - -> 0.11 | - | - | - | - | - | - | 15 -> 9 | isa, r_meas, rmodel_shell_scaled, radial_misfit, rfree |
|
||||
| 9z44 | open | pass | I 1 2 1 | 6.86 -> 6.78 | 5.9 -> 9.5 | 26.6% -> 21.8% | 0.953 -> 0.974 | 1.35 -> 1.25 | 0.336 -> 0.333 | 0.325 -> 0.326 | 0.17 -> 0.10 | - -> 0.02 | - | - | - | - | - | - | 32 -> 15 | isa, r_meas, cc_half, radial_misfit, time |
|
||||
| 9z72 | open | pass | P 31 2 1 | 1.97 -> 2.00 | 11.8 -> 14.9 | 76.6% -> 93.0% | 0.991 -> 0.988 | 0.15 -> 0.14 | 0.241 | 0.256 | 0.06 -> 0.04 | - -> 0.68 | - | - | - | - | - | - | 152 -> 32 | isa, r_meas, time |
|
||||
| 9zlo | open | pass | P 21 21 21 | 1.58 -> 1.56 | 23.0 -> 23.5 | 12.0% | 0.999 | 0.39 -> 0.26 | 0.235 -> 0.221 | 0.241 -> 0.230 | 0.05 -> 0.07 | - -> 1.73 | - | - | - | - | - | - | 26 -> 15 | rmodel_shell_scaled, rfree, time |
|
||||
| 9zm0 | open | pass | P 1 21 1 | 1.81 -> 1.79 | 8.6 -> 8.9 | 23.7% -> 24.1% | 0.996 | 0.16 -> 0.70 | 0.262 -> 0.256 | 0.283 -> 0.276 | 0.12 -> 0.08 | - -> 4.66 | - | - | - | - | - | - | 11 -> 6 | cell_dev_pct, rmodel_shell_scaled, rfree |
|
||||
| 9zmu | open | pass | P 61 2 2 | 1.71 -> 1.72 | 10.8 -> 11.3 | 34.0% -> 29.8% | 0.999 | 0.25 -> 0.07 | 0.276 -> 0.277 | 0.285 -> 0.282 | 0.17 -> 0.15 | - -> 1.23 | - | - | - | - | - | - | 39 -> 24 | r_meas, time |
|
||||
| cuhf2 | open | unscored | P 2 2 2 -> P 4 2 2 | 0.52 -> 0.51 | 3.8 -> 44.3 | 17.4% -> 2.8% | 0.988 -> 1.000 | - | - | - | - | - | - | - | - | - | - | - | 56 -> 20 | space group, isa, r_meas, cc_half, completeness, time |
|
||||
| cytidine | open | pass | P 21 21 21 | 0.58 | 4.5 -> 8.5 | 20.6% -> 10.2% | 0.980 -> 0.997 | 0.31 -> 0.33 | - | - | - | - | - | - | 0.1018 -> 0.0644 | 0.3180 -> 0.1842 | 1.124 -> 1.075 | 0.096 -> 0.072 | 29 -> 7 | isa, r_meas, cc_half, SHELXL r1, SHELXL wr2, SHELXL goof, SHELXL exti, time |
|
||||
| dnba | open | pass | C 1 2/c 1 | 0.81 | 4.3 -> 39.5 | 16.7% -> 2.4% | 0.979 -> 1.000 | 0.06 -> 0.09 | - | - | - | - | - | - | 0.0607 -> 0.0269 | 0.1531 -> 0.0710 | 1.036 -> 1.070 | 0.004 -> 0.003 | 10 -> 5 | isa, r_meas, cc_half, SHELXL r1, SHELXL wr2, SHELXL goof |
|
||||
| lalanine | open | pass | P 21 21 21 | 0.65 | 7.5 -> 51.5 | 12.1% -> 2.4% | 0.994 -> 1.000 | 0.07 -> 0.09 | - | - | - | - | - | - | 0.0759 -> 0.0318 | 0.2201 -> 0.0965 | 1.147 -> 1.149 | 0.027 -> 0.000 | 14 -> 10 | isa, r_meas, cc_half, SHELXL r1, SHELXL wr2, SHELXL exti |
|
||||
| metformin | open | pass | P 1 21/c 1 | 0.51 | 13.6 -> 31.0 | 6.4% -> 3.1% | 0.998 -> 1.000 | 0.17 | - | - | - | - | - | - | 0.0527 -> 0.0326 | 0.1569 -> 0.1031 | 1.073 -> 1.123 | 0.000 | 8 -> 3 | isa, r_meas, SHELXL r1, SHELXL wr2, SHELXL goof |
|
||||
| nidppe | open | pass | P 1 21/c 1 | 0.51 | 25.6 -> 29.7 | 8.2% -> 8.0% | 0.998 -> 0.999 | 0.28 | - | - | - | - | - | - | 0.0441 -> 0.0420 | 0.1171 -> 0.1050 | 1.046 -> 1.038 | 0.006 -> 0.004 | 9 -> 3 | isa, SHELXL wr2 |
|
||||
| aspirin_x10sa_20keV | inhouse | - -> pass | - -> P 1 21/c 1 | - -> 0.66 | - -> 35.5 | - -> 3.0% | - -> 1.000 | - -> 0.04 | - | - | - | - | - -> 3.0% | - -> 2.3% | - -> 0.0370 | - -> 0.1152 | - -> 1.129 | - -> 0.010 | - -> 9 | only in B |
|
||||
| aspirin_x10sa_25keV | inhouse | - -> pass | - -> P 1 21/c 1 | - -> 0.53 | - -> 34.4 | - -> 3.1% | - -> 1.000 | - -> 0.05 | - | - | - | - | - -> 3.1% | - -> 2.2% | - -> 0.0361 | - -> 0.1188 | - -> 1.073 | - -> 0.011 | - -> 6 | only in B |
|
||||
| citricacid_x10sa_20keV | inhouse | - -> pass | - -> P 1 21/c 1 | - -> 0.67 | - -> 23.0 | - -> 4.1% | - -> 0.997 | - -> 0.11 | - | - | - | - | - -> 4.1% | - -> 5.0% | - -> 0.0393 | - -> 0.1060 | - -> 1.098 | - -> 0.180 | - -> 7 | only in B |
|
||||
| hepes_x10sa_20keV | inhouse | - -> pass | - -> P b c a | - -> 0.66 | - -> 37.0 | - -> 2.7% | - -> 0.999 | - -> 0.14 | - | - | - | - | - -> 2.7% | - -> 3.7% | - -> 0.0307 | - -> 0.0862 | - -> 1.060 | - -> 0.048 | - -> 10 | only in B |
|
||||
| kdp_x10sa_20keV | inhouse | - -> pass | - -> I 41 m d | - -> 0.66 | - -> 24.0 | - -> 5.5% | - -> 0.998 | - -> 0.04 | - | - | - | - | - -> 5.3% | - -> 4.8% | - -> 0.0475 | - -> 0.1206 | - -> 1.380 | - -> 0.027 | - -> 16 | only in B |
|
||||
| lcystine_x10sa_20keV | inhouse | - -> pass | - -> P 61 2 2 | - -> 0.67 | - -> 3.8 | - -> 40.7% | - -> 0.999 | - -> 0.52 | - | - | - | - | - | - | - -> 0.1251 | - -> 0.3491 | - -> 1.077 | - -> 0.000 | - -> 22 | only in B |
|
||||
| lcystine_x10sa_25keV | inhouse | - -> pass | - -> P 61 2 2 | - -> 0.53 | - -> 4.4 | - -> 39.9% | - -> 0.998 | - -> 0.54 | - | - | - | - | - | - | - -> 0.1116 | - -> 0.3237 | - -> 1.129 | - -> 0.000 | - -> 22 | only in B |
|
||||
| yag_x10sa_20keV | inhouse | - -> pass | - -> I a -3 d | - -> 0.66 | - -> 2.9 | - -> 40.3% | - -> 0.640 | - -> 0.03 | - | - | - | - | - -> 40.2% | - -> 44.7% | - -> 0.1005 | - -> 0.2385 | - -> 1.110 | - -> 0.533 | - -> 12 | only in B |
|
||||
| 2wnn | open | - -> pass | - -> P 1 21 1 | - -> 1.43 | - -> 15.2 | - -> 6.7% | - -> 0.998 | - -> 0.09 | - -> 0.279 | - -> 0.287 | - -> 0.19 | - -> 1.04 | - | - | - | - | - | - | - -> 27 | only in B |
|
||||
| 2wnq | open | - -> fail | - -> C 2 2 21 | - -> 1.65 | - -> 10.6 | - -> 10.9% | - -> 0.997 | - -> 68.38 | - -> 0.536 | - -> 0.537 | - -> 0.18 | - -> -0.06 | - | - | - | - | - | - | - -> 20 | only in B |
|
||||
| 2wnz | open | - -> pass | - -> P 1 21 1 | - -> 1.83 | - -> 17.4 | - -> 11.1% | - -> 0.997 | - -> 0.20 | - -> 0.203 | - -> 0.229 | - -> 0.22 | - -> 1.00 | - | - | - | - | - | - | - -> 19 | only in B |
|
||||
| 2xfw | open | - -> pass | - -> P 1 21 1 | - -> 1.54 | - -> 15.3 | - -> 14.1% | - -> 0.996 | - -> 0.06 | - -> 0.198 | - -> 0.219 | - -> 0.16 | - -> 1.18 | - | - | - | - | - | - | - -> 41 | only in B |
|
||||
| 2ygz | open | - -> fail | - -> C 2 2 21 | - -> 1.71 | - -> 4.3 | - -> 25.4% | - -> 0.993 | - -> 39.55 | - | - | - | - | - | - | - | - | - | - | - -> 24 | only in B |
|
||||
| 3mc4 | open | - -> pass | - -> R 3:H | - -> 1.75 | - -> 12.7 | - -> 9.8% | - -> 0.995 | - -> 0.15 | - -> 0.247 | - -> 0.248 | - -> 0.05 | - -> 1.59 | - | - | - | - | - | - | - -> 5 | only in B |
|
||||
| 3meb | open | - -> pass | - -> P 1 21 1 | - -> 1.70 | - -> 13.2 | - -> 14.6% | - -> 0.987 | - -> 0.92 | - -> 0.203 | - -> 0.206 | - -> 0.13 | - -> -0.30 | - | - | - | - | - | - | - -> 5 | only in B |
|
||||
| 3p85 | open | - -> pass | - -> P 63 2 2 | - -> 1.62 | - -> 8.6 | - -> 11.8% | - -> 0.998 | - -> 0.47 | - -> 0.203 | - -> 0.206 | - -> 0.15 | - -> 8.97 | - | - | - | - | - | - | - -> 8 | only in B |
|
||||
| 3r6o | open | - -> fail | - -> I 41 2 2 | - -> 1.53 | - -> 4.2 | - -> 20.3% | - -> 0.986 | - -> 0.51 | - -> 0.296 | - -> 0.298 | - -> 0.66 | - -> 1.48 | - | - | - | - | - | - | - -> 4 | only in B |
|
||||
| 4bwl | open | - -> fail | - -> C 2 2 21 | - -> 1.68 | - -> 13.7 | - -> 14.6% | - -> 0.998 | - -> 72.05 | - -> 0.522 | - -> 0.532 | - -> 0.13 | - -> 0.12 | - | - | - | - | - | - | - -> 20 | only in B |
|
||||
| 4mtk | open | - -> pass | - -> P 61 | - -> 2.87 | - -> 15.6 | - -> 21.5% | - -> 0.991 | - -> 0.02 | - -> 0.219 | - -> 0.243 | - -> 0.16 | - -> 0.37 | - | - | - | - | - | - | - -> 21 | only in B |
|
||||
| 4nwv | open | - -> pass | - -> I 2 2 2 | - -> 2.94 | - -> 8.4 | - -> 47.0% | - -> 0.968 | - -> 0.31 | - -> 0.293 | - -> 0.297 | - -> 0.08 | - -> 0.44 | - | - | - | - | - | - | - -> 110 | only in B |
|
||||
| 4p8r | open | - -> pass | - -> P 61 2 2 | - -> 2.02 | - -> 7.2 | - -> 15.2% | - -> 0.995 | - -> 0.06 | - -> 0.175 | - -> 0.216 | - -> 0.20 | - -> 1.08 | - | - | - | - | - | - | - -> 53 | only in B |
|
||||
| 5cc8 | open | - -> fail | - -> P 21 21 21 | - -> 1.53 | - -> 11.2 | - -> 7.9% | - -> 0.997 | - -> 0.10 | - -> 0.171 | - -> 0.185 | - -> 0.25 | - -> 4.88 | - | - | - | - | - | - | - -> 5 | only in B |
|
||||
| 5jk4 | open | - -> pass | - -> P 1 21 1 | - -> 0.96 | - -> 14.5 | - -> 9.1% | - -> 0.998 | - -> 0.15 | - -> 0.111 | - -> 0.128 | - -> 0.15 | - -> 3.69 | - | - | - | - | - | - | - -> 8 | only in B |
|
||||
| 5ojv | open | - -> pass | - -> P 21 21 2 | - -> 1.85 | - -> 12.6 | - -> 14.5% | - -> 0.982 | - -> 0.50 | - -> 0.174 | - -> 0.186 | - -> 0.15 | - -> 1.49 | - | - | - | - | - | - | - -> 33 | only in B |
|
||||
| 5uth | open | - -> pass | - -> P 31 2 1 | - -> 1.72 | - -> 10.1 | - -> 11.8% | - -> 0.998 | - -> 0.23 | - -> 0.189 | - -> 0.211 | - -> 0.20 | - -> 3.52 | - | - | - | - | - | - | - -> 5 | only in B |
|
||||
| 5vml | open | - -> pass | - -> P 42 21 2 | - -> 1.91 | - -> 11.6 | - -> 9.6% | - -> 0.997 | - -> 0.06 | - -> 0.144 | - -> 0.153 | - -> 0.08 | - -> 4.15 | - | - | - | - | - | - | - -> 4 | only in B |
|
||||
| 6cee | open | - -> pass | - -> P 21 21 21 | - -> 1.38 | - -> 24.1 | - -> 5.4% | - -> 0.999 | - -> 0.05 | - -> 0.166 | - -> 0.174 | - -> 0.13 | - -> 8.93 | - | - | - | - | - | - | - -> 6 | only in B |
|
||||
| 6cs9 | open | - -> pass | - -> P 1 21 1 | - -> 1.71 | - -> 12.9 | - -> 10.1% | - -> 0.998 | - -> 0.07 | - -> 0.211 | - -> 0.206 | - -> 0.15 | - -> 0.79 | - | - | - | - | - | - | - -> 7 | only in B |
|
||||
| 6gvk | open | - -> pass | - -> C 1 2 1 | - -> 1.42 | - -> 19.5 | - -> 5.3% | - -> 0.999 | - -> 0.13 | - -> 0.201 | - -> 0.215 | - -> 0.18 | - -> 2.03 | - | - | - | - | - | - | - -> 17 | only in B |
|
||||
| 6oww | open | - -> fail | - -> P 41 21 2 | - -> 2.83 | - -> 12.4 | - -> 177.6% | - -> 0.995 | - -> 0.24 | - -> 0.355 | - -> 0.365 | - -> 0.06 | - -> 2.06 | - | - | - | - | - | - | - -> 33 | only in B |
|
||||
| 6p8j | open | - -> pass | - -> P 1 21 1 | - -> 1.35 | - -> 9.2 | - -> 16.1% | - -> 0.992 | - -> 0.38 | - -> 0.208 | - -> 0.214 | - -> 0.08 | - -> 0.25 | - | - | - | - | - | - | - -> 51 | only in B |
|
||||
| 6rym | open | - -> pass | - -> P 41 | - -> 1.45 | - -> 22.8 | - -> 4.2% | - -> 0.998 | - -> 0.06 | - -> 0.170 | - -> 0.190 | - -> 0.25 | - -> 14.38 | - | - | - | - | - | - | - -> 9 | only in B |
|
||||
| 6v2r | open | - -> pass | - -> P 41 21 2 | - -> 1.38 | - -> 24.6 | - -> 5.2% | - -> 1.000 | - -> 0.03 | - -> 0.205 | - -> 0.209 | - -> 0.22 | - -> 12.72 | - | - | - | - | - | - | - -> 6 | only in B |
|
||||
| 7bgu | open | - -> pass | - -> P 1 | - -> 2.32 | - -> 16.2 | - -> 10.8% | - -> 0.942 | - -> 0.12 | - -> 0.254 | - -> 0.266 | - -> 0.09 | - -> -0.36 | - | - | - | - | - | - | - -> 8 | only in B |
|
||||
| 7d98 | open | - -> pass | - -> P 61 2 2 | - -> 3.31 | - -> 15.5 | - -> 30.9% | - -> 0.997 | - -> 0.16 | - -> 0.284 | - -> 0.311 | - -> 0.06 | - -> 0.69 | - | - | - | - | - | - | - -> 8 | only in B |
|
||||
| 7q6j | open | - -> pass | - -> P 21 21 21 | - -> 2.00 | - -> 10.0 | - -> 14.5% | - -> 0.998 | - -> 0.40 | - -> 0.224 | - -> 0.234 | - -> 0.12 | - -> 1.40 | - | - | - | - | - | - | - -> 21 | only in B |
|
||||
| 8c3e | open | - -> fail | - -> P 6 2 2 | - -> 1.79 | - -> 5.9 | - -> 29.4% | - -> 0.980 | - -> 0.24 | - -> 0.359 | - -> 0.399 | - -> 0.28 | - -> 0.91 | - | - | - | - | - | - | - -> 2 | only in B |
|
||||
| 8v2t | open | - -> pass | - -> P 42 21 2 | - -> 1.15 | - -> 12.3 | - -> 8.0% | - -> 0.999 | - -> 0.20 | - -> 0.167 | - -> 0.180 | - -> 0.21 | - -> 10.97 | - | - | - | - | - | - | - -> 14 | only in B |
|
||||
| 8v4j | open | - -> pass | - -> P 42 21 2 | - -> 1.10 | - -> 21.8 | - -> 5.5% | - -> 1.000 | - -> 0.09 | - -> 0.170 | - -> 0.176 | - -> 0.11 | - -> 12.36 | - | - | - | - | - | - | - -> 17 | only in B |
|
||||
| 9jq9 | open | - -> pass | - -> P 21 21 21 | - -> 1.65 | - -> 19.2 | - -> 6.9% | - -> 0.999 | - -> 0.17 | - -> 0.212 | - -> 0.241 | - -> 0.15 | - -> 4.73 | - | - | - | - | - | - | - -> 5 | only in B |
|
||||
| 9lxl | open | - -> pass | - -> P 41 21 2 | - -> 2.08 | - -> 6.2 | - -> 42.1% | - -> 0.997 | - -> 0.62 | - -> 0.300 | - -> 0.313 | - -> 0.09 | - -> 0.76 | - | - | - | - | - | - | - -> 18 | only in B |
|
||||
| 9qvv | open | - -> pass | - -> I 2 2 2 | - -> 2.53 | - -> 38.1 | - -> 10.8% | - -> 1.000 | - -> 0.08 | - -> 0.247 | - -> 0.251 | - -> 0.23 | - -> 1.66 | - | - | - | - | - | - | - -> 16 | only in B |
|
||||
| 9qw2 | open | - -> pass | - -> P 1 21 1 | - -> 1.82 | - -> 6.4 | - -> 22.3% | - -> 0.960 | - -> 0.62 | - -> 0.243 | - -> 0.253 | - -> 0.05 | - -> 0.12 | - | - | - | - | - | - | - -> 21 | only in B |
|
||||
| 9s02 | open | - -> pass | - -> P 21 21 2 | - -> 1.43 | - -> 25.6 | - -> 10.5% | - -> 0.999 | - -> 0.09 | - -> 0.180 | - -> 0.186 | - -> 0.09 | - -> 2.26 | - | - | - | - | - | - | - -> 25 | only in B |
|
||||
| 9v16 | open | - -> pass | - -> P 41 21 2 | - -> 2.91 | - -> 15.2 | - -> 33.0% | - -> 0.997 | - -> 0.20 | - -> 0.262 | - -> 0.268 | - -> 0.08 | - -> 0.38 | - | - | - | - | - | - | - -> 41 | only in B |
|
||||
+37784
File diff suppressed because it is too large
Load Diff
Reference in New Issue
Block a user