Commit Graph
293 Commits
Author SHA1 Message Date
leonarski_fandClaude Opus 5 0162afd324 Azimuthal integration: report the dimensions of the image the mapping covers
The mapping took its width and height from the CONVERTED geometry
unconditionally, while pixel_to_bin is sized per mode: converted when the
geometry is transformed, raw module layout when it is not. In raw mode
the two disagreed - 2068x2162 reported against a 1024x4096 map on a JF4M.

Only the adaptive spot finders read those dimensions, and they read them
for exactly the thing that breaks: the CPU finder derives npix = w*h and
then indexes the image, pixel_to_bin and the resolution mask with it, so
it walked ~277k pixels past the end of all three; the GPU finder stays in
bounds but decodes the strong-pixel bit index with the wrong row stride
and reports spots at wrong coordinates. Nothing combines raw geometry
with adaptive detection today, so this was latent rather than live.

Take them from GetXPixelsNum()/GetYPixelsNum(), which already follow the
geometry mode. The converted path is unchanged - it is the same number
there - and every internal use is inside SetupConvGeom, which only runs
when the geometry is transformed.

Covered by two tests: the mapping's dimensions must match pixel_to_bin in
both modes, and the CPU adaptive finder must return a spot planted on a
raw-geometry image at that raw pixel.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-29 09:31:58 +02:00
leonarski_fandClaude Opus 5 1a0774eed0 Azimuthal integration: clear sum2 along with sum and count
Clear() reallocated sum and count but left sum2 as the constructor had
sized it. Every caller reuses one profile across the images of a dataset
(rugnux keeps one per worker, the viewer one per view), so the squares
kept accumulating while the means restarted at zero: the per-image
standard deviation written to /entry/azint and shown in the plots was
meaningless from the second image on, and grew without bound over a run.

The size mismatch was the sharper edge. Clearing to a mapping with a
different bin count left sum2 shorter than sum, and GetStd() and
operator+= then read past its end - reachable in the viewer by opening a
dataset with a wider q range than the one before it.

Both are covered by tests: the same frame twice with a Clear() in
between has to give the same standard deviation, and a profile cleared
to a wider mapping has to report the right value in a bin that only the
wider mapping has.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-29 09:28:38 +02:00
leonarski_fandClaude Opus 5 f2b92e3f4d rugnux: --search-min-zeta drops badly-measured observations from the symmetry search
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zeta is the sine of the angle between a reflection's rocking path and the
spindle. Near 0 the reflection crosses the Ewald sphere almost tangentially,
spends many frames in diffracting position and is measured worst. The de-novo
space-group search asks how EQUAL an operator's paired intensities are, so its
answer is dominated by whichever reflections are measured worst - and when the
spindle lies in a lattice plane, an operator that permutes the two in-plane
axes samples a different mixture of measurement qualities than one that only
flips signs. That is not a fair comparison, and it can make a real symmetry
operator look like a twin law.

Measured on a thaumatin set mounted that way (its 4-fold is 88.9 deg from the
spindle), the added operators' disagreement is 1.74x the parent's over pairs
where both reflections have zeta < 0.85 and 1.003x - i.e. the symmetry is
exact - over pairs where both are above it. The search consequently refuses the
422 promotion and merges the crystal in P222, while the same data forced to the
right group give CC1/2 99.2% at multiplicity 10.7, matching XDS.

With the option the de-novo pass ignores those observations (the final merge
keeps everything - there completeness is the point):

  zeta cut   observations ignored   H ratio   adopted
  0 (off)                       -      1.47   P222
  0.5                     1620648      1.44   P222
  0.7                     3006013      1.34   P21212
  0.85                    4536724   promoted  P4212   (correct point group)

OFF BY DEFAULT, and it must stay off, because the same cut costs four other
crystals their space group (P41212 -> P212121, I23 -> P2, I23 -> I222 twice):
at 0.85 it discards 40-80% of all observations, which on a crystal whose
geometry is not the problem simply starves the search. Two independent
implementations - filtering the pairs that enter the statistic, and filtering
the observations that enter the merge - trade exactly the same crystals, so
this is a property of the cut and not of where it is applied. Verified
bit-identical to the previous binary when off.

The companion diagnostic is already there: the run now reports how close a
symmetry axis lies to the spindle, which is the geometry that makes this
option worth reaching for.

Implementation note for anyone tempted by the cheaper route: excluding these
observations from the ASU grouping alone does NOT work. The 3D combine selects
partials on corr, not on their group, so their intensity still reaches the
fulls and the merged intensities are unchanged - measured, the statistic did
not move by 0.03 while 67% of observations were nominally excluded. Zeroing
corr is what removes an observation from the combine, the merge and the error
model alike.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-28 20:03:43 +02:00
leonarski_fandClaude Opus 5 16bf3408f0 Address code-review findings; make detection limits detector-driven
One changeset, developed together in response to a review of this branch, so the
files carry several of the changes at once. Full test suite passes (733 cases).

Spot finding
- Split ImageSpotFinder into Detect() (flag strong pixels - the expensive
  per-pixel pass) and ExtractSpots() (CCL + min/max-pix + resolution mask), with
  Run() = both. The per-image min-pix escalation now detects ONCE and repeats
  only the cheap extraction, instead of re-running the whole finder four times
  per frame as it did on the default path. It also keeps the winning attempt's
  spot list rather than re-extracting it, so the frame that is integrated is
  exactly the frame that was scored - which a GPU re-extract could not guarantee
  (float atomic ordering).
- spot_finding_time_s no longer swallows indexing time, and indexing_time_s now
  sums every escalation call instead of reporting only the last.

Detection limits follow the detector
- The azimuthal-integration upper q and the spot-finding high-resolution limit
  are now std::optional, in the C++ structs AND in the OpenAPI schema, and
  resolve to the detector's own maximum (DiffractionExperiment::GetDetectorMaxQ_
  recipA). Adaptive detection reads a pixel's ring from the azimuthal bins, so a
  pixel outside that q range could never be strong - the integration range
  silently bounded what detection could see, regardless of the requested
  resolution limit. Regenerated the C++ and TypeScript clients; the viewer and
  the web frontend each gained a "to detector edge" switch.

Detection defaults are now per workflow (measured, not assumed)
- Stills: adaptive detection, min-pix chosen per image, no resolution clipping.
- Rotation: fixed-threshold finder, min-pix 2, 1.5 A limit.
  On a 33-crystal rotation battery, adaptive detection helped four hard crystals
  but deterministically broke three (a lost space group, a halved indexing rate,
  a collapsed merge), and the detector-edge limit cost indexing on a strong
  rotation set (100.0 -> 96.8%). Each is still overridable by its flag, and
  --no-adaptive-spots is new.

Indexer seed escalation
- Stop escalating once a seed's lattice explains >= 90% of the seed spots.
  Previously any frame with >= 80 spots always paid three indexer calls, online
  broker included.

Merge-consistency filter
- --min-image-cc gated on a per-image CC computed BEFORE the stills partiality
  post-refinement and never refreshed; the refiner now recomputes it, so the
  reported CC describes the data that are actually merged.
- Replaced the per-call cc_mask argument with one MergeOnTheFly flag, so the
  merge, the error model and MergeStats can no longer disagree about which
  images are in (the --scale path merged unfiltered while its statistics were
  filtered).

Per-image B-factor refinement (-B) removed
- Measured on four serial-stills datasets: it is a no-op where the per-image fit
  is well conditioned and actively harmful where it is not (CC1/2 -8.1, R_meas
  +23.2 on the weakest large-cell set, whose fits hit their [-50, 200] bounds on
  14-25% of images). It had also been silently DISCARDED since the partiality
  post-refinement landed - reported but not applied. Rather than fix and keep a
  knob with no demonstrated benefit, the flag and the whole image_scale_b_factor
  chain are gone: setting, scaling fit, message field, CBOR, HDF5 write and
  read-back, per-image plot, OpenAPI enum, viewer column and checkbox, docs.
  ScaleOnTheFly no longer needs Ceres at all - the fit is a linear IRLS.
  (The Wilson per-image b_factor is a different quantity and stays.)

Stills partiality width now fits both of its components
- sigma^2 = gamma0^2 + (gamma_e*d*)^2 instead of a purely angular gamma_e*d*
  with gamma0 pinned to 0. Fitted per crystal by least squares of dist_ewald^2
  on d*^2. The angular-only width is fitted over a d*^2-dense population, so it
  was pinned by the high-resolution edge and collapsed at low d*: median
  partiality 0.008 beyond 13 A for reflections that were plainly recorded, 55%
  of them under the merge's partiality floor, and the survivors divided by those
  values - which inflated the merged low-resolution intensity scale 3.6x
  (~ +9 A^2 of apparent B). Measured on 5000 stills: the ramp flattens to 0.89x,
  no observation is dropped any more (701750 -> 716811), shell-mean CC1/2 and
  R-free improve slightly. Note CC1/2, R_meas, completeness and a B-refining
  R-free are all blind to that ramp, which is why it survived earlier validation;
  the cost is high-resolution R_meas (98.5 -> 101.9 shell-averaged).

Removed dead code from add-then-remove churn
- Prediction-time "still partiality" (unreachable: no setter), the phantom
  IndexingSettings::min_indexed_spot_fraction knob (getter, no setter - now the
  constant it always was), StillsPartialityRefine's caller-less Settings
  constructor and its reference to a long-gone env var, ProcessImage's unread
  bool return, an unused include, and a dead viewer overlay hook.

Also
- Viewer: the magnifier compared a QImage with itself, so its scene rect was set
  once ever and it could not pan into a larger dataset; the hover tail timer
  could fire after leaveEvent and resurrect the resolution readout outside the
  image.
- update_version.sh regenerated the frontend lock file BEFORE bumping the
  version (every release shipped an off-by-one lock), and did git rm/git add on
  a path that has not existed since the client moved to src/client - with no
  set -e, both failed silently.
- fpga/pcie_driver/postinstall.sh tested "[ ! occurrences > 0 ]", which is a
  redirect, not a test, so dkms add never ran.
- Unit tests for the adaptive-threshold host functions, which had none.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-27 09:07:00 +02:00
leonarski_fandClaude Opus 4.8 a8c1006c49 Choose min-pix-per-spot adaptively per image for serial-stills indexing
For stills indexing the minimum-pixels-per-spot filter is now chosen per image
instead of being fixed: the frame is indexed at min-pix 3/2/1 and the setting that
maximises indexed-spot count weighted by indexed fraction (n_indexed^2 / n_total)
is kept, then integrated once at that min-pix. The fraction factor keeps a smaller
min-pix's extra spots only when the lattice actually explains them, so strong frames
retain their real weak spots (extending resolution) while noise-flooded frames stay
strict.

The mode is selected by the presence of --min-pix-per-spot, now optional
(SpotFindingSettings::min_pix_per_spot is std::optional<int64_t>): omit it for the
adaptive per-image path, give a value to force a fixed min-pix. It applies only to
the stills indexing path -- rotation indexing builds one global lattice and keeps a
fixed min-pix, and the online receiver and the FPGA host path always carry a concrete
value, so neither changes. IndexAndRefine::ProcessImage now returns whether the frame
indexed, to drive the per-image selection.

Exposed in the jfjoch_viewer spot-finding settings (adaptive-threshold and
adaptive-min-pix checkboxes, each greying out the control it overrides); the broker
uses neither.

Validated on the full rotation regression battery (no regression) and the whole
serial-stills target battery at full image count.

Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
2026-07-26 18:31:35 +02:00
leonarski_fandClaude Opus 4.8 014e43a4c9 Remove non-helping stills merge/scaling knobs
Trims three opt-in stills parameters that did not improve data quality on the
external-reference (PDB R-free) battery and only added code:

- --partiality-uncertainty: the (1-p)/p merge-sigma term was null on all four
  serial-stills datasets of the battery vs their reference structures (and
  neutral-to-harmful at higher coefficients); removed the flag, setting and
  CorrectedSigma term.
- --stills-modulation: the detector-plane flat-field surface was net-negative
  on flooded data; removed the flag, setting and MergeOnTheFly::RefineModulation
  (the rotation modulation in RotationScaleMerge is unaffected).
- --min-indexed-fraction: every value other than the 0.20 default collapsed
  CC1/2; removed the override flag/setter, keeping the fixed 0.20 acceptance
  floor.

Default behaviour is unchanged (all three were off / at their default).

Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
2026-07-25 17:40:48 +02:00
leonarski_fandClaude Opus 4.8 20bbcb1cd3 Remove --soft-weight and --local-snr spot-finder options
Both were opt-in adaptive-spot refinements that did not help. Soft per-spot
weighting was index-rate neutral across the battery (re-ranking only bites when
spots exceed the max-spot cap, which weak serial data does not reach). The
local-SNR gate was neutral on index rate and degraded merged CC1/2 on flooded
XFEL data. Drops the flags, ApplyWeights/FilterByLocalSNR, the per-spot weight
field, and the by-weight FilterSpotsByCount branch (now strongest-first only).
--adaptive-spots itself is unchanged.

Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
2026-07-25 17:31:35 +02:00
leonarski_fandClaude Opus 4.8 ca7cbe206a Add opt-in local-SNR spot gate and acceptance-fraction knob (serial stills)
Two opt-in tools for weak serial-stills tuning; both default-off, so the
default pipeline is bit-identical (verified: a serial-stills reference run
reproduces HEAD's 7.85% indexing rate exactly).

--local-snr <sigma> (AdaptiveSpotFinderCPU::FilterByLocalSNR): after the loose
per-ring adaptive threshold builds connected-component spots, drop any spot that
does not stand this many sigmas above its OWN LOCAL background (robust median/MAD
of a square annulus), not just the azimuthal ring mean. On structured-background
(XFEL) frames the ring mean underestimates the local diffuse level in some
sectors, so the ring threshold floods; a real Bragg peak still stands many local
sigmas proud. Validated on XFEL stills to separate real peaks from flood at the
pixel level (real median local-SNR ~70 vs flood ~2.6; SNR>=5 keeps ~99.8% of
real peaks, ~14% of flood). GPU-portable (a per-spot local reduction). NOTE: on
the current serial-stills battery it is index-rate/CC1/2 neutral -- the flood that
survives as CC clusters overlaps weak-real spots, and only lattice-fit separates
those -- but it is the correct tool for genuinely floody data (ice/jet/loosened
detector) and the right substrate for the online FPGA path.

--min-indexed-fraction <f>: exposes the previously hardcoded 0.20 minimum
indexed-spot fraction (AnalyzeIndexing) as a per-run setting. Lowering it admits
weaker/sparser crystals; on flooded XFEL data the extra lattices are spurious
(pair with --min-image-cc to gate them), on clean synchrotron data there are no
marginal frames so it is a no-op -- useful as a gating-experiment primitive.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
2026-07-24 11:12:22 +02:00
leonarski_fandClaude Opus 4.8 7c5bedfd74 Add soft per-spot quality weighting for adaptive spot detection
Add --soft-weight (implies --adaptive-spots): give every detected spot a
continuous quality weight in (0,1] and keep the highest-weight spots rather than
the brightest, so a deliberately loose detector self-cleans -- bright ice / salt
/ jet blobs and single-pixel noise no longer evict faint clean Bragg spots from
the max-spots cut.

The weight is a product of dimensionless gates (AdaptiveSpotFinderCPU::ApplyWeights,
computed against the per-ring background the adaptive finder already builds): a
logistic ramp in the spot's SNR and a soft size band (rises from one pixel,
plateaus, falls for oversized ice/salt/streak blobs). It carries on
DiffractionSpot -> SpotToSave and is consumed by FilterSpotsByCount, which ranks
by {non-ice, weight, intensity} when requested and by intensity otherwise, so the
classic and FPGA paths are unchanged.

Honest result: on the serial-stills battery this is index-rate-NEUTRAL. The
weighted ranking only changes the outcome when the spot count exceeds the
max-spots cap and the weight disagrees with intensity in a way that affects
indexing; the adaptive detectors already produce clean spot lists and the weak
sets sit under the cap, so re-ranking is a wash there (and a wash, not a
regression, on the one set that floods). Its intended benefit -- robustness to
ice/jet-contaminated frames and to a loosened detector -- is not exercised by
this battery; kept opt-in as the substrate for that.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
2026-07-23 19:53:55 +02:00
leonarski_fandClaude Opus 4.8 1a2b0181a5 Add physical partiality post-refinement for stills (default on)
Replace the frozen scalar-sigma stills partiality with a physical, refined model.
Per crystal, refine an orientation tilt (dpsi_x, dpsi_y) against the running merge
and recompute each reflection's partiality analytically from the refined geometry
(angular Ewald-proximity model, sigma(d*) = gamma_e*d*), with the per-crystal scale
G profiled out by the existing robust IRLS - no re-integration. A soft Gaussian
prior on dpsi tames weak-data overfit while staying inert on strong data. The
merge <-> refine loop iterates a few times.

This is now the stills default via ScalingSettings::stills_partiality_refine (on).
A single opt-out flag `--simple-stills` reverts to treating every reflection as a
full (p=1, single pass). Retires the experimental `--still-partiality` flag. The
viewer gains a "Partiality post-refinement (stills)" checkbox in Scaling settings.

Validated (integrate-once / --scale): CC1/2 and R_meas both improve on three
monochromatic serial-stills datasets (+2.8 / -10, +5.6 / -3.4, +2.1 / -4);
neutral on a pink-beam DMM set (already-full reflections); R-free/R-work down vs
a fixed model; competitive with CrystFEL partialator on matched frames.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
2026-07-23 14:45:43 +02:00
leonarski_fandClaude Opus 4.8 cbc6a85157 Debias stills merge with expected-variance weighting
The serial-stills merge (MergeOnTheFly::CorrectedSigma) weighted each
observation by 1/sigma^2 using the observation's OWN sigma. Below ~1
photon the Poisson signal part of that sigma correlates with the
observation's up/down fluctuation, so the inverse-variance mean is
biased low: an up-fluctuated observation acquires a larger sigma and is
over-downweighted. The rotation combine (RotationScaleMerge::
process_rawrun) already avoids this by rebuilding the signal variance at
the pooled estimate; the stills path did not.

Decompose each observation's variance into a background/read part (kept
per-observation) and a Poisson signal part, and rebuild the signal part
at the reflection's expected <I>. Bit-identical when an observation sits
at its reflection mean; only weak-shell weights move. Now default on, so
the stills path matches the rotation path;
--no-expected-variance-merge restores the old observed-sigma weighting.

Validated by paired refinement (phenix, 5 free-set seeds, byte-identical
free flags across arms): R-free-neutral on strong lysozyme and lower
R-free on weak serial-stills data checked against an independent
deposited model (6/6 seeds). The CC1/2 dip on strong data reflects
precision, not accuracy. Applies to both offline rugnux and the online
broker stills merge.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
2026-07-22 22:50:25 +02:00
leonarski_f 67dca388bd v1.0.0-rc.160 (#70)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* rugnux: Add `--model model.pdb` - score the merged data against an atomic model and compute initial maps. It reports R-work/R-free (scaling the model to the observed amplitudes with an overall scale, an anisotropic B and a flat bulk solvent - the standard few-parameter model, so a batch of maps stays directly comparable) and writes 2Fo-Fc / Fo-Fc electron-density maps (CCP4) plus a map-coefficient MTZ. The structure itself is not refined; the model is only re-fractionalised into the data cell.
* rugnux: The merged reflection output now carries French-Wilson amplitudes (|F| and its sigma) next to the intensities - MTZ `F`/`SIGF`, mmCIF `_refln.F_meas_au`, and the text HKL - computed with the correct centric/acentric Wilson prior and epsilon multiplicity, so a downstream program (e.g. phenix.refine) can refine against amplitudes. The intensity columns are unchanged.
* rugnux: R-free test-set flags are now assigned deterministically and consistently across symmetry - a Bijvoet pair I(+)/I(-) is never split between the work and free sets, and the assignment is a reproducible per-hkl hash that depends only on the reflection index, so every dataset of one crystal form gets the same ~5% free set (what a multi-dataset campaign such as PanDDA needs). On small data the fraction is floored so the test set stays large enough for a stable R-free (~500 reflections, capped at 10%); it stays flat at 5% on ordinary data. When a reference MTZ carries a `FreeR_flag` column its test set is imported instead, letting a whole campaign inherit one shared free set.
* rugnux: A reference MTZ (`--reference-mtz`) can now fix the space group and cell for rotation data too (previously rejected), without being used to scale - the rotation merge stays self-consistent. When the crystal has an indexing (merohedral) ambiguity - a lattice symmetry higher than its Laue symmetry, e.g. P3/P4/P6/C2 - the reference also resolves it: each candidate reindexing (identity plus the twin-law cosets of the metric symmetry) is scored by its intensity correlation against the reference and the data are re-merged in the best-correlating one. This is a metric-preserving relabelling of hkl (the cell is unchanged) and a no-op for a holohedral crystal such as lysozyme.
* rugnux: `--model` validation now aligns the data to the model before scoring - the observed reflections are reindexed into the model's enantiomorph when the two differ only by hand (indistinguishable from merged intensities). A merohedral indexing ambiguity is resolved against the reference MTZ when one is given (so a whole campaign shares one indexing convention); only with a model and no reference does validation fall back to fitting each candidate reindexing and keeping the lowest R-free.
* rugnux: De-novo symmetry - recover a genuine high-symmetry group whose data are imperfectly scaled. Such a merge's within-orbit chi² lands just past the self-consistency bound (each real symmetry step adds a little systematic scatter), right where a merohedral twin also lands, so the chi² ratio alone cannot separate them. The candidate is now rescued when the extra intensity-proportional systematic error it invokes stays small relative to the confirmed subgroup - a genuine symmetry step gains multiplicity without inflating the merge error model's b, whereas a twin forces non-equivalent reflections together and b balloons. Fixes cubic insulin (I23 instead of I222) with no change to any other crystal in the test battery, including the twins that must stay in their lower symmetry.
* Docs: Document the French-Wilson amplitude estimation, R-free flagging, reference-based space-group/ambiguity resolution, and model-based validation/maps in CPU_DATA_ANALYSIS.md.
* Frontend: The status-bar pill now shows a progress bar during detector calibration (previously only during measurement), and the calibration state and its button are labelled "Calibration"/"CALIBRATE" (the internal `Pedestal` state name is unchanged for back-compatibility).Reviewed-on: #70

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-07-19 09:39:28 +02:00
leonarski_f dd0bffb283 v1.0.0-rc.159 (#69)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* rugnux: Add `--model model.pdb` - score the merged data against an atomic model and compute initial maps. It reports R-work/R-free (scaling the model to the observed amplitudes with an overall scale, an anisotropic B and a flat bulk solvent - the standard few-parameter model, so a batch of maps stays directly comparable) and writes 2Fo-Fc / Fo-Fc electron-density maps (CCP4) plus a map-coefficient MTZ. The structure itself is not refined; the model is only re-fractionalised into the data cell.
* rugnux: The merged reflection output now carries French-Wilson amplitudes (|F| and its sigma) next to the intensities - MTZ `F`/`SIGF`, mmCIF `_refln.F_meas_au`, and the text HKL - computed with the correct centric/acentric Wilson prior and epsilon multiplicity, so a downstream program (e.g. phenix.refine) can refine against amplitudes. The intensity columns are unchanged.
* rugnux: R-free test-set flags are now assigned deterministically and consistently across symmetry - a Bijvoet pair I(+)/I(-) is never split between the work and free sets, and the assignment is a reproducible per-hkl hash that depends only on the reflection index, so every dataset of one crystal form gets the same ~5% free set (what a multi-dataset campaign such as PanDDA needs). On small data the fraction is floored so the test set stays large enough for a stable R-free (~500 reflections, capped at 10%); it stays flat at 5% on ordinary data. When a reference MTZ carries a `FreeR_flag` column its test set is imported instead, letting a whole campaign inherit one shared free set.
* rugnux: A reference MTZ (`--reference-mtz`) can now fix the space group and cell for rotation data too (previously rejected), without being used to scale - the rotation merge stays self-consistent. When the crystal has an indexing (merohedral) ambiguity - a lattice symmetry higher than its Laue symmetry, e.g. P3/P4/P6/C2 - the reference also resolves it: each candidate reindexing (identity plus the twin-law cosets of the metric symmetry) is scored by its intensity correlation against the reference and the data are re-merged in the best-correlating one. This is a metric-preserving relabelling of hkl (the cell is unchanged) and a no-op for a holohedral crystal such as lysozyme.
* rugnux: `--model` validation now aligns the data to the model before scoring - the observed reflections are reindexed into the model's enantiomorph when the two differ only by hand (indistinguishable from merged intensities). A merohedral indexing ambiguity is resolved against the reference MTZ when one is given (so a whole campaign shares one indexing convention); only with a model and no reference does validation fall back to fitting each candidate reindexing and keeping the lowest R-free.
* rugnux: De-novo symmetry - recover a genuine high-symmetry group whose data are imperfectly scaled. Such a merge's within-orbit chi² lands just past the self-consistency bound (each real symmetry step adds a little systematic scatter), right where a merohedral twin also lands, so the chi² ratio alone cannot separate them. The candidate is now rescued when the extra intensity-proportional systematic error it invokes stays small relative to the confirmed subgroup - a genuine symmetry step gains multiplicity without inflating the merge error model's b, whereas a twin forces non-equivalent reflections together and b balloons. Fixes cubic insulin (I23 instead of I222) with no change to any other crystal in the test battery, including the twins that must stay in their lower symmetry.
* Docs: Document the French-Wilson amplitude estimation, R-free flagging, reference-based space-group/ambiguity resolution, and model-based validation/maps in CPU_DATA_ANALYSIS.md.
* Frontend: The status-bar pill now shows a progress bar during detector calibration (previously only during measurement), and the calibration state and its button are labelled "Calibration"/"CALIBRATE" (the internal `Pedestal` state name is unchanged for back-compatibility).Reviewed-on: #69

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-07-13 13:54:03 +02:00
leonarski_f 451310f43d v1.0.0-rc.158 (#68)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* Analysis: The azimuthal-integration solid-angle correction now follows the incidence angle to the detector normal (`cos^3` of that angle) instead of `cos^3(2*theta)`, so it is correct for a tilted detector and matches PyFAI `solidAngleArray` and MAX IV azint (unchanged for an untilted detector). Crystal geometry refinement (`XtalOptimizer`) no longer silently ignores an imported PONI `rot3` (rotation about the beam): it is applied as a fixed rotation in the residual so refinement stays consistent with the rest of the pipeline. Polarization and azimuthal binning already honoured `rot3` through the full PONI rotation.
* jfjoch_viewer: Open datasets on the WSL2/UNC filesystem (paths starting `\\`); write processing outputs next to the input file, with a Browse button and independent `_process.h5` / merged `.mtz`/`.cif` toggles; and show the determined space group in the merge-statistics window.
* rugnux: Accept an absolute `-o` output prefix in offline processing.
* Packaging: The self-contained Linux viewer `.tgz` now bundles cuFFT, so it runs without a system CUDA toolkit (`.deb`/`.rpm` are unchanged, distro-managed).
* Docs: Bring the analysis references up to date with the code. `docs/CPU_DATA_ANALYSIS.md` now reflects the unified profile-fit Bragg integration engine, multi-lattice indexing, azimuthal phi binning, the radial parallax/bandwidth profile with sub-pixel centring, the rot3d capture-fraction handling and the automatic CC1/2 resolution cutoff, and drops the descriptions of features that were never implemented (French-Wilson amplitudes, the still excitation-error partiality model); `docs/RUGNUX.md` documents the new `--resolution-cutoff`/`--resolution-cc-target`/`--resolution-shells`, `--min-captured-fraction`, `--mosaicity`, `--reference-column`, the azimuthal correction toggles and the geometry-override options, and corrects the `-N` default. The outdated in-source design notes (ICE_RING_DETECTION, BRAGG_INTEGRATION_ENGINE, NEXTGEN_INTEGRATOR) are removed.Reviewed-on: #68

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-07-12 19:42:29 +02:00
leonarski_f 54c0100e8e v1.0.0-rc.157 (#67)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* rugnux: Rebrand the offline data-processing subsystem as `rugnux` and consolidate all offline analysis into the single `rugnux` binary - `jfjoch_process` is now `rugnux`, the former `jfjoch_azint` is now `rugnux --azint-only`, and `jfjoch_scale` is now `rugnux --scale` (see the new docs/NAMING.md and docs/RUGNUX.md). Scaling and merging are on by default for rotation and stills (`--no-merge` disables them), replacing the previous opt-in `-M, --scale-merge`.
* rugnux: CLI fixes - default `-N` to all hardware threads, parse numeric option arguments strictly (reject non-numeric or trailing input instead of silently yielding 0), require `--wavelength > 0`, and correct the reproduced command line and `--scale` reference-cell handling.
* rugnux: De-novo space-group improvements - recover genuine high symmetry and centred Bravais lattices from intensities, add an automatic CC1/2 high-resolution cutoff, and report L-test twinning statistics.
* rugnux: Index weakly-diffracting low-resolution rotation data that previously failed (e.g. F-cubic crystals that diffract only to ~4 A on a detector reaching ~1.5 A). The per-frame indexing gate now measures the indexed fraction only within the resolution range the lattice actually diffracts to, so the many sub-diffraction ice/noise spots no longer make the fraction floor unreachable; the two-pass first pass tries several image-sampling schemes (spread across the whole rotation vs a consecutive wedge whose native stride keeps a reflection's rocking curve continuous, letting the FFT resolve a long axis) and keeps the one that indexes the most frames; and the de-novo space-group search no longer discards all reflections (and crashes) when every resolution shell falls below <I/sigma> = 1.
* rugnux: Lower the low-resolution R-meas for strongly-diffracting rotation data - drop edge-of-sweep truncated fulls whose rocking curve was captured below `--min-captured-fraction` (default 0.7 for rotation), and report R-meas only over the observations kept by outlier rejection (matching XDS). The 0.7 default also strips the partiality-extrapolated fulls that dominate the intensity second moment on weakly-diffracting crystals, so the de-novo space-group search is no longer starved by the error-model I/sigma floor and recovers the correct symmetry (e.g. the F-cubic Benas crystals: Benas_3 -> F432, Benas_7 -> P6122, instead of P4/P1); on the reference battery every other crystal keeps its space group.
* rugnux: Write the refined geometry (beam, tilt, axis) to _process.h5 and place non-standard mmCIF items under a reserved `jfjoch` prefix.
* jfjoch_broker: Ordinary acquisition failures (receiver/writer/analysis problems, missed packets, writer disconnect) now return to the Idle state with an Error-severity message, so a run can be retried without an expensive re-initialisation; only failures that leave the detector in an undefined state (new JFJochCriticalException, e.g. PCIe/FPGA faults) go to the Error state and force re-initialisation.
* jfjoch_broker: A synchronous /start now reports its failure to the HTTP caller instead of returning HTTP 200, and an incomplete or truncated dataset (missing packets, writer disconnect) is reported as an error rather than a "reduce frame rate" warning.
* jfjoch_broker: Drop uncollected placeholder rows (number = -1) from the scan_result REST endpoint.
* jfjoch_broker: Fix the inverted per-image compression ratio reported by the Lite receiver (was compressed/uncompressed instead of uncompressed/compressed).
* jfjoch_broker: Bragg integration adds a quantization-noise variance floor with a box-sum fallback, and treats the type-maximum marker as an invalid pixel for unsigned image types.
* jfjoch_writer: Detect file-overwrite conflicts at start for back-channel transports, and reset the writer when end-of-collection finalisation fails.
* jfjoch_viewer: Preview overlays follow the geometry (resolution/ROI arcs, true beam centre, predictions, coral secondary-lattice spots, legend), add save-as-JPEG, and fix an HTTP live-follow memory leak.
* Frontend: Improved aesthetics and usability, and added in-browser pixel-mask and JUNGFRAU-pedestal visualisation.
* CI: Name the Windows installer jfjoch-viewer-* instead of jfjoch-*.Reviewed-on: #67

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-07-11 07:19:11 +02:00
leonarski_f d6389e12da v1.0.0-rc.156 (#66)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* jfjoch_process: Major rotation (rot3d) data processing overhaul - robust profile-fit integration, Cauchy-loss scaling with optional absorption surface, de-novo indexing and space-group/centering determination fixes, and merging statistics + ISa in the mmCIF output.
* jfjoch_process: Add EXPERIMENTAL ice-ring detection (--detect-ice-rings) that excludes ice reflections from scaling.
* Compression: Add BSHUF_ZSTD_RLE_HUFF, make compression size-aware (drop frames that don't fit rather than aborting), and add the jfjoch_recompress tool.
* jfjoch_viewer: Report "Multiple lattices detected" and grey out "Analyze dataset" on a live connection.
* jfjoch_broker: Write smargon chi/phi goniometer positions to NXmx; read sensor thickness/material from HDF5 metadata.
* CI: Build Windows (CUDA and non-CUDA) installers.Reviewed-on: #66

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-07-03 19:18:56 +02:00
leonarski_f 54c667190f v1.0.0-rc.155 (#65)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* jfjoch_process: Remove pixelrefine option (replaced with ProfileIntegrate2D)
* jfjoch_viewer: Some graphical improvements.
* jfjoch_viewer: Simplify und unify data analysis settings.
* jfjoch_writer: Add TCP keepalive to increase robustness if jfjoch_broker "dies" in the middle of data acquisition.

Reviewed-on: #65
2026-06-25 22:01:48 +02:00
leonarski_f 75e401f0e5 v1.0.0-rc.153 (#63)
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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* jfjoch_broker: Add EXPERIMENTAL pixelrefine mode for image processing
* jfjoch_broker: Allow to load user mask from 8-bit and 16-bit TIFF files
* jfjoch_broker: Add ROI calculation in non-FPGA workflow
* jfjoch_broker: Fixes to TCP image pusher
* jfjoch_broker: Remove NUMA bindings
* jfjoch_broker: Improvements to indexing
* jfjoch_broker: For PSI EIGER, trimming energies are taken from the detector configuration (now compulsory) instead of hardcoded values
* jfjoch_writer: Save ROI definitions and the per-pixel ROI bitmap in the master file; azimuthal ROIs support phi (angular) sectors
* jfjoch_viewer: Major redesign with dockable panels and saved layouts, plus on-canvas creation/move/resize of box, circle and azimuthal ROIs
* jfjoch_viewer: Run jfjoch_process reprocessing jobs from inside the GUI and overlay per-run results

Reviewed-on: #63
2026-06-23 20:29:49 +02:00
leonarski_f c49bd2ac3b v1.0.0-rc.152 (#62)
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* jfjoch_broker: Fix bounds for azimuthal integration for Q spacing (allow Q of 1e-5)
* jfjoch_viewer: Adjust Q bounds for azimuthal integration
* jfjoch_azint: Add tool to do quick azimuthal integration

Reviewed-on: #62
2026-06-17 20:36:24 +02:00
leonarski_f 90e804acd7 v1.0.0-rc.150 (#60)
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* jfjoch_broker: When in FPGA workflow (with PSI detectors) azimuthal integration might be forced to CPU - this will require more computational power, but it enables more integration bins and reports standard deviation of each bin.
* jfjoch_broker: Raise error if one is in FPGA flow and there are too many azimuthal integration bins.

Reviewed-on: #60
2026-06-15 20:24:15 +02:00
leonarski_f cc3eb8352c v1.0.0-rc.148 (#58)
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This is an UNSTABLE release. The release has significant modifications for data processing - in case of troubles go back to 1.0.0-rc.144.

* jfjoch_broker: Improve azimuthal integration (add <I^2> calculation)
* jfjoch_broker: Fixes around indexing, aiming to handle multi-lattice crystals (work in progress, it is not fully integrated)
* jfjoch_writer: Save mean(I), stddev(I), and count(I) for each azimuthal bin

Reviewed-on: #58
2026-06-08 08:30:35 +02:00
leonarski_f 75de40f52b v1.0.0-rc.147 (#57)
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This is an UNSTABLE release. The release has significant modifications for data processing - in case of troubles go back to 1.0.0-rc.144.

* jfjoch_viewer: Add reciprocal space viewer
* jfjoch_process: Two pass algorithm that does spot finding/indexing + integration of full dataset
* jfjoch_process: Improve logic for rotation indexer, to make execution more deterministic (still work in progress)

Reviewed-on: #57
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-06-02 11:49:24 +02:00
leonarski_f fc68a9baed v1.0.0-rc.146 (#56)
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This is an UNSTABLE release. The release has significant modifications for data processing - in case of troubles go back to 1.0.0-rc.144.

jfjoch_process: Generate a dedicated file (_process.h5), which can be used as a replacement for the _master.h5 file for a reanalyzed dataset.
jfjoch_process: Improve the performance of scaling and merging, implement on the fly scaling.
jfjoch_writer: All final data analysis results are repopulated in the _master.h5 file.
jfjoch_scale: Dedicated tool for rescaling/merging existing data.
jfjoch_viewer: Fix bugs where pixel labels where displayed on a wrong pixel.

WARNING! Scaling and merging are experimental at the moment, and may not provide reasonable results for the time being.

Reviewed-on: #56
2026-05-28 18:48:35 +02:00
leonarski_f caef26873e v1.0.0-rc.145 (#55)
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This is an UNSTABLE release. The release has significant modifications for HDF5 writing logic - in case of troubles go back to 1.0.0-rc.144.

* **Default HDF5 writing mode is with VDS, not soft-links** - this improves DIALS compatibility and makes format more future-proof, NXmx legacy format might be phased-out in the future.
* XDS plugin: Improve performance of VDS reading.
* jfjoch_writer: Significant improvement on how file systems I/O are handled through a dedicated pass-through VFD.
* jfjoch_writer: Clean-up of HDF5 routines to better handle issues.

Reviewed-on: #55
2026-05-06 21:50:02 +02:00
leonarski_f 7d34e8a049 v1.0.0-rc.144 (#54)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Improve performance of preview JPEG image generator at receiver startup (saving about 150 ms on measurement start for 16M)

Reviewed-on: #54
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-05-01 17:06:36 +02:00
leonarski_f 6e0bb971ac v1.0.0-rc.143 (#53)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

jfjoch_broker: Avoid copying gain calibration together with DiffractionExperiment

Reviewed-on: #53
2026-04-30 22:16:50 +02:00
leonarski_f d760b12a18 v1.0.0-rc.141 (#51)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Azimuthal integration mapping is generated with parallel computations, significantly reducing setup times
* frontend: Fix selection of FFTW in indexing settings

Reviewed-on: #51
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-04-30 13:04:54 +02:00
leonarski_f 4878318c27 v1.0.0-rc.139 (#49)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Further reduce startup time for DECTRIS detectors by selectively modifying SIMPLON parameters on `/start`
* jfjoch_broker: Further reduce startup time for DECTRIS detectors by not setting beam center and detector distance via SIMPLON API on '/start'
* jfjoch_broker: Add an extra message to ZeroMQ puller ready to monitor Lite worklow preparation time
* jfjoch_broker: Image buffer configuration is postponed for Lite receiver flow till start message is received
* jfjoch_broker: Use nanoseconds internally for frame/image/readout time
* jfjoch_broker: Extra messages added for receiver operation (to be removed after debugging finished)
* jfojch_broker: Improve profiling of different data analysis steps
* jfjoch_broker: Record integration reflection count
* jfjoch_broker: Fix bug where ZeroMQ preview frequency was confusing time units (micro vs. milliseconds)
* jfjoch_broker: Fix bug where '/wait_till_done' got deadlocked
* jfjoch_writer: Fix confusion between NaN and zero in floating-point datasets

**Breaking changes**: detector definition is now using nanoseconds to define minimum frame time, minimum count time and readout time.

Reviewed-on: #49
2026-04-29 09:50:50 +02:00
leonarski_fandtakaba_k 230480e390 v1.0.0-rc.138 (#48)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

    jfjoch_broker: Cleanup DECTRIS start-up code to enable a shorter start time
    jfjoch_broker: Allow for asynchronous start to allow overlapping detector configuration with other beamline preparations
    jfjoch_broker: Goniometer axis name is converted to lowercase
    jfjoch_broker: Fix bug, where wrong HTTP error codes were returned
    jfjoch_broker: Improve sigma estimation during merging (K. Takaba)

---------

Co-authored-by: takaba_k <kiyofumi.takaba@psi.ch>
Reviewed-on: #48
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-04-27 19:56:14 +02:00
leonarski_f c981e1b91c v1.0.0-rc.137 (#46)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Better track time for each operation in the processing stack
* jfjoch_broker: Rewrite preprocessing of diffraction images in the non-FPGA workflow to better use GPUs (work in progress)
* jfjoch_broker: Remove ROI calculation in the non-FPGA workflow (work in progress)
* jfjoch_viewer: Toolbar displays image number starting from 1 (instead of 0)

Reviewed-on: #46
2026-04-25 19:59:21 +02:00
leonarski_f c1c170112c v1.0.0-rc.136 (#45)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Improve logic regarding indexing architecture and thread pools (work in progress).

Reviewed-on: #45
2026-04-20 11:54:33 +02:00
leonarski_f bb9f5c715f v1.0.0-rc.135 (#44)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* Multiple small bug fixes scattered across the whole code base. (detected with GPT-5.4)
* jfjoch_viewer: Improve image render performance

Reviewed-on: #44
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-04-16 11:59:59 +02:00
leonarski_f 4a852b4d6b v1.0.0-rc.134 (#43)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Add better locking for detector object - should help, when detector initialization takes too long
* jfjoch_writer: Enable writing single, integrated HDF5 file with both data and metadata
* XDS plugin: Add generation of Jungfraujoch plugin for XDS
* CI: Add tests with XDS and DIALS (`xia2.ssx`)

Reviewed-on: #43
2026-04-09 13:30:47 +02:00
leonarski_f 6133da1377 v1.0.0-rc.133
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Use httplib for HTTP server instead of Pistache
* jfjoch_broker: Drop OpenSSL support
* jfjoch_broker: Base work for multi-lattice support in the future
* Update dependencies to more recent versions (spdlog, HDF5, Catch2, httplib)

Reviewed-on: #41
2026-03-26 20:50:33 +01:00
leonarski_f 64002f1e29 v1.0.0-rc.129 (#36)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.124.

* jfjoch_broker: Significant improvements in TCP image socket, as a viable alternative for ZeroMQ sockets (only a single port on broker side, dynamically change number of writers, acknowledgments for written files)
* jfjoch_broker: Delta phi is calculated also for still data in Bragg prediction
* jfjoch_broker: Image pusher statistics are accessible via the REST interface
* jfjoch_writer: Supports TCP image socket and for these auto-forking option

Reviewed-on: #36
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-03-05 22:13:12 +01:00
leonarski_f 3036b1d37f v1.0.0-rc.128 (#35)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.124.

* jfjoch_broker: Handle properly reuse of image buffer locations
* jfjoch_broker: Fix bug in counting idle slots
* jfjoch_broker: Force obtuse angle for monoclinic cells
* jfjoch_process: Change scaling refinement tolerance

Reviewed-on: #35
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-03-03 22:24:44 +01:00
leonarski_f f3e0a15d26 v1.0.0-rc.127 (#34)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.124.

* jfjoch_broker: Default EIGER readout time is 20 microseconds
* jfjoch_broker: Multiple improvements regarding performance
* jfjoch_broker: Image buffer allows to track frames in preparation and sending
* jfjoch_broker: Dedicated thread for ZeroMQ transmission to better utilize the image buffer
* jfjoch_broker: Experimental implementation of transmission with raw TCP/IP sockets
* jfjoch_writer: Fixes regarding properly closing files in long data collections
* jfjoch_process: Scale & merge has been significantly improved, but it is not yet integrated into mainstream code

Reviewed-on: #34
2026-03-02 15:57:12 +01:00
leonarski_f 1ab257af6c v1.0.0-rc.125 (#32)
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This is an UNSTABLE release. This version adds scalign and merging. These are experimental at the moment, and should not be used for production analysis.
If things go wrong with analysis, it is better to revert to 1.0.0-rc.124.

* jfjoch_broker: Improve logic on switching on/off spot finding
* jfjoch_broker: Increase maximum spot count for FFBIDX to 65536
* jfjoch_broker: Increase default maximum unit cell for FFT to 500 A (could have performance impact, TBD)
* jfjoch_process: Add scalign and merging functionality - program is experimental at the moment and should not be used for production analysis
* jfjoch_viewer: Display partiality and reciprocal Lorentz-polarization correction for each reflection
* jfjoch_writer: Save more information about each reflection

Reviewed-on: #32
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-02-18 16:17:21 +01:00
leonarski_f 07fe4dd3bb v1.0.0-rc.124 (#31)
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This is an UNSTABLE release. This version significantly rewrites code to predict reflection position and integrate them,
especially in case of rotation crystallography. If things go wrong with analysis, it is better to revert to 1.0.0-rc.123.

* jfjoch_broker: Improve refection position prediction and Bragg integration code.
* jfjoch_broker: Align with XDS way of calculating Lorentz correction and general notation.
* jfjoch_writer: Fix saving mosaicity properly in HDF5 file.
* jfjoch_viewer: Introduce high-dynamic range mode for images
* jfjoch_viewer: Ctrl+mouse wheel has exponential change in foreground (+/-15%)
* jfjoch_viewer: Zoom-in numbers have better readability

Reviewed-on: #31
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-02-01 13:29:33 +01:00
leonarski_f 1c4dfd03e2 v1.0.0-rc.123 (#30)
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This is an UNSTABLE release.

* jfjoch_broker: Use newer version of Google Ceres for (potential) CUDA 13 compatibility
* jfjoch_broker: Improve performance of generating preview images, especially for large detectors (9M-16M)
* jfjoch_viewer: Improve performance of displaying images, especially for large detectors (9M-16M)
* jfjoch_viewer: Add more color schemes for better image readability
* HDF5: Common mutex for reading and writing HDF5 if both operations were to happen in the same executable
* HDF5: suppress warning if path (upstream group) doesn't exists when checking if leaf exists

Reviewed-on: #30
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-01-30 13:43:09 +01:00
leonarski_f 27496b8207 v1.0.0-rc.122 (#29)
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 7m57s
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This is an UNSTABLE release.

* jfjoch_broker: Add thresholding to prefer shorter vectors after FFT
* jfjoch_broker: Add experimental mosaicity estimation for rotation experiments (this is work in progress)
* jfjoch_viewer: Display file opening errors
* jfjoch_viewer: When loading files over DBus add retry/back-off till the file is available

Reviewed-on: #29
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2025-12-16 15:27:40 +01:00
leonarski_f e2b240356c v1.0.0-rc.121 (#28)
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 9m28s
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This is an UNSTABLE release.

* jfjoch_broker: Report changes in the image buffer, so viewer doesn't reload constantly
* jfjoch_viewer: Improve performance of loading images
* jfjoch_viewer: Auto-throttle image loading in HTTP-sync / movie modes
* jfjoch_viewer: Auto-foreground calculated with histogram
* jfjoch_viewer: Fix rare segmentation fault

Reviewed-on: #28
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2025-12-12 21:24:20 +01:00
leonarski_f a0a659a02c v1.0.0-rc.120 (#27)
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This is an UNSTABLE release.

* jfjoch_broker: Improve performance of binary plot export

Reviewed-on: #27
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2025-12-09 15:21:40 +01:00
leonarski_f 36d0507758 v1.0.0-rc.119 (#26)
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This is an UNSTABLE release and not recommended for production use (please use rc.111 instead).

* jfjoch_broker: Add binary export of data analysis plots over OpenAPI
* jfjoch_broker: Minor fixes to HTTP error handling
* jfjoch_viewer: Prefer binary plots over JSON plots
* jfjoch_viewer: Change foreground with F button + wheel
* jfjoch_viewer: Change way how angles are displayed
* jfjoch_viewer: Display resolution of the mouse cursor in top left corner

Reviewed-on: #26
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2025-12-08 19:53:35 +01:00
leonarski_f 31a357fa57 v1.0.0-rc.113 (#19)
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 11m0s
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This is an UNSTABLE release and not recommended for production use (please use rc.111 instead).

* jfjoch_broker: Improve handling of rotation indexing
* jfjoch_broker: More information saved in CBOR end message (WIP)
* jfjoch_writer: Save rotation indexing lattice parameters and Niggli class
* jfjoch_viewer: Remove (for now) primitive cell information

Reviewed-on: #19
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2025-12-02 09:29:22 +01:00
leonarski_f 06949caf1a v1.0.0-rc.112 (#18)
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This is an UNSTABLE release and not recommended for production use (please use rc.11 instead).

* jfjoch_broker: Experimental rotation (3D) indexing
* jfjoch_broker: Minor fix to error in optimizer potentially returning NaN values

Reviewed-on: #18
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2025-11-30 17:39:22 +01:00
leonarski_f 05410d7cb3 v1.0.0-rc.109 (#15)
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This is an UNSTABLE release.

* jfjoch_viewer: Add keyboard shortcuts and option to copy image to clipboard
* jfjoch_broker: Fix bit-width and exposure time for PSI EIGER detectors

Reviewed-on: #15
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2025-11-26 13:48:59 +01:00
leonarski_f f44c6520a8 v1.0.0-rc.107 (#12)
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This is an UNSTABLE release.

* jfjoch_viewer: Minor polishing of new functionality
* jfjoch_broker: User NaN for empty azimuthal bins

Reviewed-on: #12
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2025-11-24 07:07:32 +01:00
leonarski_f 95acf3aba3 v1.0.0-rc.104 (#9)
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This is an UNSTABLE release.

jfjoch_writer: Fix and improve the way grid scan geometry is saved (non-NXmx extension makes it way easier)
jfjoch_viewer: Display grid scan results in 2D (work in progress)
jfjoch_viewer: Improve auto-scaling on start of images (work in progress)
jfjoch_viewer: Add B-factor and resolution estimate to the dataset info plots

Reviewed-on: #9
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2025-11-19 17:28:10 +01:00
leonarski_f 33aeb64e4c v1.0.0-rc.103 (#8)
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This is an UNSTABLE release.

* jfjoch_viewer: Minor improvements to the viewer
* jfjoch_broker: Change behavior for modular detectors: coordinates of 0-th pixel can be now arbitrary and detector will be cropped to the smallest rectangle limited by module coordinates

Reviewed-on: #8
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2025-11-19 09:40:50 +01:00