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leonarski_fandClaude Opus 5.5 13badcfa39 Docs: battery report of the pushed rc.175, with commentary and figures

Full open and in-house battery on 0b2dde214 (run 20261009-1447_0b2dde_rc175-0b2dde2-full) against
the 10-07 battery on 9ced4c444, without the REFMAC check: the R-free figure and numbers are kept from
the rc.174 battery. Report regenerated from the run with the current battery tools (verdicts scored
by the current scorer, so KDP passes as an indistinguishable alternative), commentary written by
hand. 5ky6 and the low-ISa cubic insulin set go from pass to fail, accepted losses of taking the
pre-pass-2 decisions from the first part of the sweep; every other verdict is unchanged. The whole
battery took 4898 s against 5795 s, most of it model validation now on the GPU (278 s against
1024 s); without it the HDF5 sets are at the same speed. Time, zoomed time, in-house time and
resolution figures regenerated with paper_plots.py.

Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01SVmAWnzCmRKAXVUCdc4iNi

2026-10-09 16:38:23 +02:00

146 KiB

Raw Blame History

Rugnux battery - 20261009-1447_0b2dde_rc175-0b2dde2-full

rugnux 1.0.0-rc.175, sha256 8899fb310c03234f, build flags: Release CXX_FLAGS='-march=x86-64-v3' CUDA=ON
runner 0b2dde214, host mpc2898.psi.ch, 2026-10-09T14:47:18 -> 2026-10-09T16:14:38
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; 250 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 (without --model where there is no deposited model: small molecules, unpublished sets)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)

Commentary

This is the validation battery of the rc.175 branch at 0b2dde214, the pushed state of rc.175, built with the CI flags and run once per set, against the battery of 7 October at 9ced4c444 (20261007-2139_9ced4c_rc175-p1-baseline) as baseline. Between the two, rotation processing takes the decisions made before pass 2 from the first part of the sweep, with a geometry pre-pass of at least 120 deg, so that a sweep can be processed while it is still being collected; the first pass gained several fixes (deciding whether there is a lattice at all on the no-crystal controls, the index-2 sub-lattices of the standing cell offered as hypotheses, the axis-harmonic arbiter testing the larger cell against its own sub-lattice, the long-axis rescue tried at both beam centres, and a wedge from the end of the first part as a last resort); model validation runs on the GPU; and a GPU out-of-memory failure in scaling was fixed. Verdicts are scored by the current scorer, which now passes a space group that the data cannot tell apart from the reference. The REFMAC model check was not run again: the R-free figure is that of the rc.174 battery (20261005-2102_3770f4_rc174-final-refmac). The private arm ran too; as always, only its aggregate is stated here: 23 pass, 2 fail, 2 not scored, with one verdict changed in each direction.

Verdicts. Open arm 187 pass / 13 fail / 3 not scored over 203 sets, in-house 46 / 1 over 47. Two sets that passed now fail; both are accepted losses of taking the decisions from the first part of the sweep: 5ky6 calls P2 instead of P2_1 (the screw axis), and the in-house insu_I_x06da_low_isa, a cubic insulin set of low ISa, is indexed on a rhombohedral cell of twice the primitive volume. KDP, scored against I-42d while Rugnux reports I4_1md, now passes as an indistinguishable alternative: the two groups have the same absences and the intensities cannot tell them apart. Every other verdict is as before; 6p8j still fails, now on a screw axis (P112) rather than on too high a point group.
Quality. Five sets are clearly worse: 9qw8 (ISa 9.6 to 5.2, R_meas 20 to 27 %), 9qw2 (d_min 1.74 to 1.82 A), lyso_x06da_half_image (ISa 6.9 to 4.4), insu_I_x06da_low_isa (the wrong lattice above) and myob_x06da_powder_2, which keeps its 1.47 A cut but with CC1/2 0.92 to 0.78 and R_free 0.48 to 0.50. Five are clearly better: 8qq7 (R_free 0.431 to 0.408), 8r5r (d_min 2.89 to 2.79 A, ISa 15 to 19), 9yzk (ISa 7.1 to 8.8), 7bgu (ISa 10 to 16, R_free 0.303 to 0.266) and myob_x06da_split, whose runaway cut of the 10-07 report is gone (1.21 to 1.86 A, R_meas 289 to 78 %, R_free 0.484 to 0.402). 5jk4, the other set the 10-07 report flagged, is back to an overall CC1/2 of 0.998 at 0.96 A. R_free here is Rugnux's own placement-only number, a trend within a run.
Resolution. Rugnux's own cut is finer than the deposited one on 173 of 183 structures. The median change of d_min from 10-07 is zero; the largest moves are finer on 6yqf and 8r5r and coarser on 3meb, 8qj5, 6oww and 6p8j, besides the in-house sets above.
R-free. From the rc.174 battery: the deposited model refined by REFMAC against Rugnux's data comes within 0.05 of the same refinement against the depositor's data on 174 of 182 structures.
Processing time. The whole battery took 4898 s of processing against 5795 s on 10-07; the open arm 4424 s against 5263 s (median 18.3 s against 21.0 s), the in-house arm 474 s against 532 s (median 8.9 s against 10.6 s); the median over all 250 sets is 16 s. Most of the gain is model validation, which the battery runs only because of --model and which now runs on the GPU: 278 s in total against 1024 s. Without model validation the HDF5 sets took 1598 s against 1618 s (median 12.2 s against 11.6 s), so the processing itself is at the same speed. The slowest sets are 8qaw (109 s), 9gdj (99 s) and 8tyy (84 s); in house, lyso_x10sa_strong (29 s). No set shared the GPU.
Small molecules. SHELXL R1 against the published structures: aspirin 0.036-0.037, citric acid 0.039, HEPES 0.031 and KDP 0.048; YAG (0.101) and L-cystine (0.11-0.13) remain the weak cases.

Summary

arm	sets	pass	of which alt	fail	unscored	not run	pass rate	median res. gain	median ISa	median R_meas	median time s	total time min
open	203	187	4	13	3	0	187/200 (94%)	+11.9%	13.5	14.0%	18	73.7
inhouse	47	46	0	1	0	0	46/47 (98%)	+6.2%	22.6	9.5%	9	7.9

Plot in report.html: verdicts per arm

Pass rate is over the scored sets (pass + fail). 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	97	90/95 (95%)	+11.7%
open	cdte	3	3/3 (100%)	+5.0%
open	cubic	13	13/13 (100%)	+15.5%
open	diffuse	4	4/4 (100%)	+9.9%
open	h5	57	56/57 (98%)	+12.4%
open	hexagonal	16	15/15 (100%)	+13.8%
open	home-source	11	8/11 (73%)	+12.7%
open	long-axis	2	2/2 (100%)	+16.0%
open	long-wavelength	1	1/1 (100%)	-
open	low-resolution	1	1/1 (100%)	-8.3%
open	marCCD	15	14/15 (93%)	+13.9%
open	marccd	8	7/8 (88%)	+11.7%
open	monoclinic	50	43/50 (86%)	+11.7%
open	nxs	2	1/1 (100%)	+7.1%
open	orthorhombic	48	45/47 (96%)	+11.8%
open	pseudo-merohedral	5	2/5 (40%)	+8.4%
open	pseudo-symmetry	7	5/7 (71%)	+7.1%
open	small-molecule	6	5/5 (100%)	-12.9%
open	smv	22	17/22 (77%)	+10.6%
open	tetragonal	24	23/24 (96%)	+10.2%
open	tncs	5	3/5 (60%)	+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%
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	46/47 (98%)	+6.2%
inhouse	hexagonal	2	2/2 (100%)	-
inhouse	insulin	9	8/9 (89%)	+4.9%
inhouse	iodine	2	2/2 (100%)	+16.2%
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	203	3.8	9.9	13.5	19.3	52.1
open	R_meas	203	2.4%	8.9%	14.0%	22.2%	417.1%
open	CC1/2	203	0.927	0.995	0.998	0.999	1.000
open	res. gain %	199	-68.3	+7.6	+11.9	+16.6	+34.3
open	low-res shell R_meas	203	1.7%	4.1%	5.4%	8.2%	36.0%
open	R_model, shell-scaled	196	0.096	0.180	0.208	0.247	0.580
open	R_free (placement, within-run only)	196	0.121	0.189	0.218	0.256	0.574
open	radial misfit	196	0.02	0.09	0.12	0.16	0.72
open	R_free ratio	196	0.804	0.958	1.026	1.116	3.386
open	anomalous map at the scatterers, sigma	196	-3.32	0.72	1.46	3.53	29.15
open	dCC vs depositor, all	194	-0.367	-0.021	-0.004	+0.003	+0.196
open	dCC vs depositor, outer 2 shells	194	-0.738	-0.034	-0.004	+0.031	+0.323
open	CC(Fc^2) past the deposited limit	181	-0.042	0.225	0.299	0.375	0.926
open	time s	203	2	11	18	28	109
inhouse	ISa	44	2.3	7.5	22.6	32.8	50.9
inhouse	R_meas	45	2.7%	6.3%	9.5%	30.1%	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	1.295	6.068
inhouse	ref-range R_meas / XDS	43	0.220	0.838	0.953	1.054	3.643
inhouse	low-res shell R_meas	45	2.2%	3.8%	4.8%	9.6%	44.7%
inhouse	ref-range low-res R_meas / XDS	43	0.279	0.871	1.025	1.149	2.429
inhouse	ref-range CC1/2 noise / XDS	43	0.04	0.36	0.57	0.88	25.56
inhouse	R_model, shell-scaled	37	0.183	0.228	0.262	0.298	0.492
inhouse	R_free (placement, within-run only)	37	0.175	0.237	0.292	0.346	0.524
inhouse	radial misfit	37	0.03	0.07	0.11	0.18	0.31
inhouse	R_free ratio	37	0.940	1.224	1.567	1.908	2.402
inhouse	anomalous map at the scatterers, sigma	37	-0.27	1.48	3.24	6.12	11.77
inhouse	time s	45	4	7	9	13	29

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
9b22	I	1.14	1.30	94661	-0.316	-0.738	0.146	1.12	-	16.4	h5, monoclinic
3r6o	F	1.53	1.95	16766	-0.322	-0.670	0.153	1.54	-	4.4	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	-0.157	-0.396	0.280	1.61	-	8.5	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	1.85	1.85	96590	-0.091	-0.340	0.078	1.84	-	17.4	smv, monoclinic, pseudo-symmetry
3mc4	F	1.79	1.95	24519	-0.158	-0.328	0.285	1.79	-	12.1	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	3.23	3.33	932	-0.147	-0.268	0.003	3.23	-	5.0	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	2042	-0.219	-0.177	-	-	-	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	35260	-0.048	-0.138	0.234	1.71	-	13.2	smv, monoclinic, home-source
9rci	F	1.69	1.66	39470	-0.033	-0.129	-	-	-	7.5	h5, triclinic, tncs
5epe	F	1.78	1.90	22792	-0.026	-0.118	0.324	1.78	-	11.1	marCCD, cubic
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
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
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
9pbb	I	1.81	2.16	11549	-0.043	-0.081	0.172	1.81	-	16.7	cbf, monoclinic
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
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
5uth	F	1.72	1.95	27659	-0.021	-0.037	0.425	1.73	-	10.4	smv, trigonal, home-source
9p7q	I	1.78	2.21	12159	-0.028	-0.034	0.283	1.77	-	10.8	cbf, monoclinic
5vml	F	1.91	1.70	14312	-0.015	-0.034	-	-	-	11.0	smv, tetragonal, home-source
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
6iu8	I	2.34	2.70	15286	+0.003	-0.028	0.188	2.34	-	8.0	cbf, trigonal
9gdj	I	1.40	1.47	157444	-0.008	-0.025	0.296	1.40	-	12.9	h5, tetragonal, cdte
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
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
9ih9	F	1.40	1.70	78425	-0.005	-0.021	0.383	1.40	-	12.7	h5, monoclinic
9fhc	F	1.89	2.20	76515	-0.002	-0.021	0.348	1.90	-	11.9	marCCD, cubic
7mzt	I	3.18	4.05	8490	-0.072	-0.020	0.076	3.17	-	3.8	cbf, orthorhombic
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	0.175	3.61	-	9.8	cbf, orthorhombic
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	-0.017	0.415	1.83	-	7.6	h5, trigonal
9e2t	I	2.35	2.28	31869	-0.106	-0.016	-	-	-	6.6	cbf, triclinic
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
8tyy	I	1.27	1.68	44789	-0.000	+0.003	0.471	1.27	-	16.2	cbf, cubic
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
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
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
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
8t7r	I	3.30	3.84	13697	+0.026	+0.032	0.290	3.30	-	10.2	cbf, monoclinic
9z72	I	2.00	2.38	28228	+0.008	+0.032	0.273	2.00	-	14.9	cbf, trigonal, long-axis
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
5cc8	F	1.53	2.00	28178	+0.041	+0.037	0.432	1.53	-	10.8	smv, orthorhombic, home-source, tncs
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
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
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
6p8j	I	1.38	1.47	191619	-0.012	+0.063	0.415	1.38	-	5.0	cbf, monoclinic, pseudo-symmetry
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
7rji	I	1.47	1.71	16699	+0.003	+0.084	0.345	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	1.81	2.22	60317	+0.005	+0.143	0.183	1.80	-	11.6	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

No comparison: 9min (the merge does not match the model in any setting); 6z9g (the merge does not match the model in any setting)

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	43.1	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	29.4	7.4% / 7.6%	5.1% / 4.8% (7.28 / 7.21)	0.9994 / 0.999	0.40	32.2 / 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	1.59	54.4 / 90.8	4.2 / 13.3	2.2	27.4% / 22.0%	12.7% / 16.7% (3.89 / 3.92)	0.9843 / 0.998	6.36	6.4 / 4.2	coverage: own cut 1.59 A is coarser than the reference, 2 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	38.0 / 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	24.8	4.7% / 4.7%	2.5% / 2.3% (4.48 / 4.54)	0.9996 / 1.000	0.80	41.5 / 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 / 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	0.0367 (1066)	0.1095	1.137	0.000	0.058 / 0.13	0.24 / -0.26	0.0194 / 0.0250	1.017	0.0500	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 (2288)	0.1152	1.128	0.010	0.059 / 0.31	0.40 / -0.38	0.0273 / 0.0172	1.006	0.0820	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)	0.3236	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
9min	open	lattice_halved	primitive volume ratio 0.49
5ky6	open	sym_screw	P 1 2 1 vs reference P 1 21 1
6z9g	open	lattice_halved	primitive volume ratio 0.51
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
6p8j	open	sym_screw	P 1 1 2 vs reference P 1 21 1
insu_I_x06da_low_isa	inhouse	lattice_doubled	primitive volume ratio 2.00

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	22
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	26	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	1.85	1.85	+0.1%	99.7	3.7	11.1%	3.5%	0.997	17.4	-	-	0.202	0.213	0.936	0.229	0.232	0.225	1.017	0.990	-0.340	ACCEPTED	21
2xfw	open	pass	P 1 21 1	P 1 21 1	0.07	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	48
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	-	-	-	-	-	-	-	-	-	-	-	-	32	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	0.110	0.950	0.203	0.212	0.223	0.913	2.820	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	0.084	0.945	0.239	0.240	0.177	1.352	3.150	0.003	NOT_TESTED	22
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	19
3mc4	open	pass	R 3:H	H 3	0.15	0.997	1.79	1.95	+8.0%	79.9	3.3	10.2%	8.5%	0.994	12.1	-	-	0.251	0.061	0.901	0.256	0.253	0.156	1.640	1.550	-0.328	ACCEPTED	6
3meb	open	pass	P 1 21 1	P 1 21 1	0.91	0.982	1.70	1.90	+10.3%	43.3	2.1	14.5%	9.9%	0.987	13.2	-	-	0.202	0.085	0.951	0.205	0.206	0.214	0.959	-0.160	-0.138	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	11.6%	9.4%	0.998	8.5	-	-	0.194	0.131	0.952	0.201	0.201	0.216	0.930	7.830	-0.396	NOT_TESTED	9
3r6o	open	fail	I 41 2 2	I 41	0.54	0.987	1.53	1.95	+21.5%	42.9	7.2	19.3%	17.4%	0.985	4.4	-	-	0.302	0.718	0.807	0.308	0.305	0.185	1.667	1.310	-0.670	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	21	C 2 2 21 vs reference P 1 21 1
5cc8	open	fail	P 21 21 21	P 21 21 2	0.11	1.000	1.53	1.75	+12.7%	44.9	4.1	8.1%	7.0%	0.997	10.8	-	-	0.168	0.239	0.958	0.182	0.176	0.194	0.942	4.510	0.037	ACCEPTED	7	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	14	C 2 2 21 vs reference P 1 21 1
5epe	open	pass	F 2 3	F 2 3	0.03	0.999	1.78	1.90	+6.5%	99.7	14.1	23.9%	6.6%	0.997	11.1	-	-	0.177	0.155	0.968	0.183	0.187	0.167	1.093	9.630	-0.118	ACCEPTED	20
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	0.936	0.233	0.235	0.169	1.376	0.830	0.323	ACCEPTED	22
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	9
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	0.124	0.886	0.246	0.246	0.235	1.046	1.400	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	18	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	1.280	-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	64
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	-	-	0.396	0.237	0.775	0.462	0.414	0.277	1.671	0.110	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	34
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	28	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	12.6%	7.2%	0.997	10.4	-	-	0.196	0.184	0.952	0.221	0.212	0.202	1.092	2.600	-0.037	ACCEPTED	5
5vml	open	pass	P 42 21 2	P 42 21 2	0.05	0.999	1.91	1.70	-12.1%	80.2	7.4	10.2%	9.8%	0.996	11.0	-	-	0.156	0.061	0.964	0.163	0.158	0.171	0.954	3.520	-0.034	NOT_TESTED	5
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	20
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	8
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	24
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	0.218	0.217	0.211	1.038	1.040	0.013	NOT_TESTED	24
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	0.183	0.951	0.215	0.213	0.210	1.024	2.020	-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	26
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	29
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	13
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	0.260	0.948	0.239	0.241	0.263	0.907	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	0.961	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	17
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	0.170	0.947	0.234	0.239	0.211	1.110	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	1.311	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	0.106	0.819	0.323	0.315	0.265	1.218	1.470	-0.024	ACCEPTED	17
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	28
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	31
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	-	-	0.248	0.196	0.917	0.258	0.262	0.250	1.029	1.140	0.026	NOT_TESTED	37
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	13
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	0.134	0.812	0.255	0.258	0.256	0.998	0.610	-0.031	NOT_TESTED	25
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	0.366	0.358	0.340	1.075	2.060	-0.043	ACCEPTED	29	P 41 21 2 vs reference P 1 21 1
6p8j	open	fail	P 1 1 2	P 1 21 1	0.38	0.993	1.38	1.47	+6.1%	98.4	3.1	19.7%	7.9%	0.980	5.0	-	-	0.235	0.096	0.920	0.245	0.244	0.229	1.071	0.890	0.063	ACCEPTED	53	P 1 1 2 vs reference P 1 21 1
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	25
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	0.240	0.959	0.276	0.259	0.263	1.050	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	0.166	0.960	0.215	0.217	0.210	1.024	0.670	0.028	NOT_TESTED	10
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	-	-	0.364	0.045	0.588	0.369	0.366	0.321	1.151	0.130	-0.231	NOT_TESTED	19
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	0.897	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	10	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	0.108	0.950	0.199	0.210	0.235	0.847	0.580	-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	0.168	0.973	0.273	0.283	0.265	1.030	0.540	0.136	ACCEPTED	8	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	42
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	0.105	0.919	0.200	0.203	0.218	0.916	1.590	-0.102	NOT_TESTED	12
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	0.119	0.925	0.243	0.249	0.178	1.370	0.660	0.004	NOT_TESTED	10
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	24	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	0.80	1.019	3.23	3.33	+2.9%	99.5	5.1	65.4%	10.4%	0.995	5.0	-	-	0.435	0.212	0.923	0.459	0.445	0.367	1.249	-0.160	-0.268	NOT_TESTED	28
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	-	-	0.283	0.061	0.900	0.289	0.287	0.275	1.054	1.180	-0.055	NOT_TESTED	12
6z9g	open	fail	P 1 21 1	P 1 21 1	21.74	0.512	1.67	1.76	+4.9%	87.8	4.3	12.5%	4.8%	0.996	14.5	-	-	0.536	0.155	0.155	0.547	0.542	0.240	2.281	0.060	-	NOT_TESTED	17	primitive volume ratio 0.51
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	35
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	14
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	26
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	23
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	23
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	31
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	9
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	7
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
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	20
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	-	-	0.261	0.099	0.909	0.268	0.268	0.192	1.401	0.790	0.094	NOT_TESTED	12	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	25
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	31
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	+21.9%	99.6	9.9	417.1%	36.0%	0.977	3.8	-	-	0.414	0.102	0.519	0.419	0.419	0.372	1.125	-0.180	-0.020	ACCEPTED	28	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	18
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	9
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	0.966	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	23
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	14
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	50
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	1.073	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	0.125	0.945	0.234	0.238	0.236	0.990	1.420	-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	-	-	0.359	0.063	0.826	0.366	0.364	0.325	1.127	0.160	0.066	NOT_TESTED	77
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	0.186	0.901	0.335	0.304	0.294	1.139	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	0.040	0.961	0.189	0.190	0.201	0.941	2.190	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	0.196	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	18
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	0.108	0.952	0.214	0.215	0.229	0.935	1.400	0.021	NOT_TESTED	35
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	54	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	18
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	0.992	3.070	0.006	NOT_TESTED	8
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	0.142	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	0.046	0.944	0.233	0.250	0.247	0.943	0.220	0.004	NOT_TESTED	6
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	26
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	0.112	0.933	0.247	0.246	0.251	0.986	0.410	0.054	NOT_TESTED	23
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	44
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	49
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	109
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	16
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	-	-	0.402	0.371	0.353	0.408	0.408	0.320	1.275	0.700	-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	0.157	0.880	0.287	0.277	0.252	1.141	0.310	-0.023	NOT_TESTED	21
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	0.989	2.300	0.025	NOT_TESTED	33	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	44
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	0.108	0.963	0.206	0.218	0.245	0.841	3.170	0.016	NOT_TESTED	50
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	-	-	0.284	0.103	0.753	0.288	0.293	0.263	1.099	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	+24.2%	97.6	38.2	16.6%	5.2%	0.999	16.2	-	-	0.161	0.145	0.970	0.179	0.175	0.163	1.099	13.490	0.003	NOT_TESTED	84
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	13
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	19
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	36
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	18
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	21	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	20.8	86.6%	18.5%	0.988	7.6	-	-	0.193	0.041	0.964	0.186	0.194	0.210	0.888	1.510	-0.017	NOT_TESTED	26
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	20	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	0.105	0.945	0.225	0.220	0.240	0.936	1.230	-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	-	-	0.160	0.102	0.968	0.165	0.163	0.164	1.009	0.060	-0.738	ACCEPTED	13
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	7
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	21
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	17
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	-	-	0.286	0.073	0.921	0.292	0.288	0.257	1.136	0.770	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	36
9gdj	open	pass	P 41 21 2	P 41 21 2	0.05	0.999	1.40	1.47	+5.0%	99.7	13.1	11.1%	6.1%	0.999	12.9	-	-	0.154	0.214	0.967	0.175	0.179	0.175	0.998	2.950	-0.025	NOT_TESTED	99
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	0.151	0.952	0.225	0.216	0.219	1.026	0.800	-0.024	NOT_TESTED	18
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	0.143	0.917	0.250	0.249	0.261	0.959	1.270	0.045	ACCEPTED	15	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	0.122	0.933	0.218	0.223	0.222	0.981	1.160	-0.022	NOT_TESTED	30
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	30	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	0.361	0.966	0.242	0.232	0.239	1.014	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	1.81	2.22	+18.6%	99.0	12.7	20.1%	5.7%	0.999	11.6	-	-	0.227	0.076	0.957	0.231	0.234	0.237	0.976	0.910	0.143	NOT_TESTED	30
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	42
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	0.081	0.931	0.247	0.237	0.259	0.955	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	+17.5%	96.0	2.4	11.2%	5.0%	0.996	12.7	-	-	0.199	0.075	0.952	0.207	0.204	0.203	1.019	1.020	-0.021	NOT_TESTED	15
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	8
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	0.314	0.298	0.234	1.341	0.750	-0.275	NOT_TESTED	19
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	-	-	0.229	0.168	0.922	0.233	0.238	0.215	1.083	1.000	0.006	NOT_TESTED	14
9min	open	fail	P 21 21 2	P 21 21 21	37.01	0.493	1.86	2.05	+9.2%	99.6	22.7	27.8%	6.8%	0.998	9.9	-	-	0.564	0.208	0.228	0.574	0.575	0.267	2.146	-0.030	-	NOT_TESTED	48	primitive volume ratio 0.49
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	0.068	0.944	0.251	0.245	0.249	1.008	0.330	0.040	NOT_TESTED	41
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	1.81	2.17	+16.5%	79.3	2.5	23.6%	6.6%	0.993	16.7	-	-	0.233	0.034	0.972	0.231	0.234	0.223	1.037	0.450	-0.081	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	16
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	-	-	0.251	0.227	0.805	0.248	0.266	0.279	0.886	1.690	-0.034	NOT_TESTED	17
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	22
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	0.831	0.329	0.331	0.243	1.354	0.300	-0.422	ACCEPTED	34
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	13
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	-	-	0.317	0.117	0.501	0.341	0.324	0.317	1.075	0.470	-0.177	ACCEPTED	12
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	13
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	0.089	0.961	0.186	0.187	0.193	0.966	2.260	0.038	ACCEPTED	26
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	48
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	0.029	0.969	0.230	0.216	0.241	0.954	2.440	0.086	NOT_TESTED	18
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	1.015	1.320	-0.046	NOT_TESTED	19
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	29
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	8
9yl4	open	pass	P 21 21 21	P 21 21 21	0.07	1.000	3.61	3.70	+2.4%	99.6	13.4	30.9%	9.2%	0.997	9.8	-	-	0.293	0.061	0.882	0.303	0.297	0.283	1.067	5.790	-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	-	-	0.352	0.323	0.875	0.410	0.413	0.304	1.348	0.130	0.043	ACCEPTED	10
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	0.153	0.791	0.328	0.341	0.345	0.950	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	+16.1%	99.7	9.8	93.3%	11.5%	0.988	14.9	-	-	0.241	0.043	0.913	0.256	0.244	0.269	0.950	0.730	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	16
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	0.081	0.956	0.275	0.258	0.298	0.925	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	0.150	0.894	0.282	0.288	0.294	0.961	1.230	0.011	ACCEPTED	20	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	-	-	-	-	-	-	-	-	-	-	-	-	9	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	-	-	-	-	-	-	-	-	-	-	-	-	6
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	-	-	78.0	2.6	2.6%	1.8%	1.000	52.1	-	-	-	-	-	-	-	-	-	-	-	-	8
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%	2.2%	1.000	35.5	27.4	-	-	-	-	-	-	-	-	-	-	-	8
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	-	-	-	-	-	-	-	-	-	-	-	7
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	0.268	0.927	0.335	0.292	0.296	1.132	5.410	-	ACCEPTED	8	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	-	0.262	0.258	0.938	0.357	0.287	0.340	1.048	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	-	-	-	-	-	-	-	-	-	-	-	9
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	1.112	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	9
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	0.306	0.876	0.333	0.309	0.161	2.065	9.340	-	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	fail	R 3:R	I 2 3	0.07	1.996	1.59	1.30	-22.2%	99.7	8.3	26.9%	12.5%	0.994	6.4	4.2	-	0.315	0.187	0.823	0.368	0.324	0.161	2.283	1.530	-	NOT_TESTED	8	primitive volume ratio 2.00
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	-	-	-	-	-	-	-	-	-	-	-	13	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	-	-	-	-	-	-	-	-	-	-	-	-	18
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	-	-	-	-	-	-	-	-	-	-	-	-	17
lysoI_micromax_mono	inhouse	pass	P 41 21 2	P 43 21 2	0.06	0.999	1.37	1.65	+16.8%	99.1	9.8	7.0%	2.9%	1.000	36.2	31.4	-	0.271	0.078	0.906	0.292	0.276	0.177	1.648	3.240	-	ACCEPTED	15	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	40.8	39.9	-	0.233	0.158	0.932	0.249	0.243	0.177	1.406	4.510	-	ACCEPTED	15	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	10	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	29	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	0.43	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	0.170	0.524	0.507	0.218	2.402	-0.270	-	ACCEPTED	9
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	12
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	13
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	9
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	10
nothing_1	inhouse	pass	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	11	no lattice reported, as expected
nothing_2	inhouse	pass	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	10	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	7	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	10
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	14
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	17
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	-	-	-	-	-	-	-	-	-	-	-	11

Delta vs baseline 20261007-2139_9ced4c_rc175-p1-baseline

Baseline rugnux 1.0.0-rc.175. Pass rates on the sets both runs have:

arm	common sets	baseline	this run
open	203	188/200 (94%)	187/200 (94%)
inhouse	47	47/47 (100%)	46/47 (98%)

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
aspirin_x10sa_25keV	inhouse	pass	P 1 21/c 1	0.53	36.7 -> 34.4	3.1%	1.000	0.05	-	-	-	-	3.1%	2.2%	0.0358 -> 0.0361	0.1167 -> 0.1188	1.079 -> 1.073	0.013 -> 0.011	8 -> 7	isa, refres_isa
citricacid_x10sa_20keV	inhouse	pass	P 1 21/c 1	0.67	24.1 -> 23.0	3.5% -> 4.1%	0.999 -> 0.997	0.10 -> 0.11	-	-	-	-	3.5% -> 4.1%	3.8% -> 5.0%	0.0375 -> 0.0393	0.1029 -> 0.1060	1.087 -> 1.098	0.140 -> 0.180	8 -> 7	r_meas, refres_r_meas, refres_lowres_r_meas, SHELXL exti
cytc_x06da_2	inhouse	pass	P 31 2 1	1.57	21.2 -> 23.0	9.8% -> 9.5%	1.000	0.11 -> 0.09	0.253	0.307 -> 0.306	0.23 -> 0.21	6.33 -> 6.24	9.1% -> 8.9%	3.5% -> 3.4%	-	-	-	-	12 -> 9	isa, refres_isa
hepes_x10sa_20keV	inhouse	pass	P b c a	0.66	38.7 -> 37.0	2.6% -> 2.7%	0.999	0.07 -> 0.14	-	-	-	-	2.6% -> 2.7%	3.5% -> 3.7%	0.0315 -> 0.0307	0.0907 -> 0.0862	1.070 -> 1.060	0.049 -> 0.048	10 -> 9	refres_lowres_r_meas
insu_H_x06da_twin	inhouse	pass	R 3:H	1.38	6.2	12.1% -> 12.4%	0.995	0.04 -> 0.03	0.267 -> 0.264	0.256 -> 0.254	0.09	4.40 -> 4.43	12.5% -> 12.8%	10.3% -> 10.9%	-	-	-	-	6	refres_lowres_r_meas
insu_I_x06da_5keV_2	inhouse	pass	I 2 3	2.42 -> 2.43	25.0 -> 32.1	8.4% -> 7.8%	1.000	0.04 -> 0.07	0.219 -> 0.236	0.295 -> 0.333	0.26 -> 0.31	9.13 -> 9.34	7.9% -> 7.4%	5.7% -> 5.1%	-	-	-	-	4	isa, r_meas, rmodel_shell_scaled, rfree, refres_r_meas, refres_isa, refres_lowres_r_meas
insu_I_x06da_low_isa	inhouse	pass -> fail	I 2 3 -> R 3:R	1.44 -> 1.59	5.6 -> 6.4	22.4% -> 26.9%	0.998 -> 0.994	0.08 -> 0.07	0.226 -> 0.315	0.261 -> 0.368	0.10 -> 0.19	3.12 -> 1.53	22.6% -> 27.4%	16.1% -> 12.7%	-	-	-	-	8	verdict pass->fail, space group, lattice, d_min, isa, r_meas, rmodel_shell_scaled, radial_misfit, rfree, anom_sigma, refres_r_meas, refres_isa, refres_lowres_r_meas
insu_I_x06da_ref	inhouse	pass	I 2 3	1.40 -> 1.41	32.1 -> 32.6	30.4% -> 34.6%	0.999	0.13 -> 0.14	0.226	0.245 -> 0.244	0.08	3.31 -> 3.28	25.6% -> 29.2%	6.1% -> 6.6%	-	-	-	-	8 -> 7	r_meas, refres_r_meas, refres_lowres_r_meas
insu_I_x06da_weak	inhouse	pass	I 2 3	1.64	14.9 -> 14.7	16.8% -> 17.1%	1.000	0.79 -> 0.85	0.290 -> 0.286	0.329 -> 0.320	0.19 -> 0.15	2.09 -> 2.03	16.8% -> 17.1%	6.2% -> 6.3%	-	-	-	-	10 -> 11	rfree
kdp_x10sa_20keV	inhouse	pass	I 41 m d	0.66	24.1 -> 24.0	5.2% -> 5.5%	0.999 -> 0.998	0.07 -> 0.04	-	-	-	-	5.0% -> 5.3%	4.6% -> 4.8%	0.0475	0.1213 -> 0.1206	1.391 -> 1.380	0.028 -> 0.027	19 -> 13	r_meas, refres_r_meas
lcystine_x10sa_20keV	inhouse	pass	P 61 2 2	0.66 -> 0.67	5.1 -> 3.8	39.5% -> 40.7%	1.000 -> 0.999	0.48 -> 0.52	-	-	-	-	-	-	0.1078 -> 0.1251	0.2854 -> 0.3491	1.112 -> 1.077	0.000	17 -> 18	isa, SHELXL r1, SHELXL wr2, SHELXL goof
lcystine_x10sa_25keV	inhouse	pass	P 61 2 2	0.53	5.3 -> 4.4	26.2% -> 39.9%	1.000 -> 0.998	0.52 -> 0.54	-	-	-	-	-	-	0.1440 -> 0.1116	0.4009 -> 0.3236	1.513 -> 1.129	0.000	14 -> 17	isa, r_meas, SHELXL r1, SHELXL wr2, SHELXL goof
lyso_x06da_atten_wedge	inhouse	pass	P 41 21 2	1.19 -> 1.20	13.1 -> 13.3	56.9% -> 41.3%	0.998	0.25 -> 0.32	0.295 -> 0.296	0.306 -> 0.307	0.07 -> 0.06	1.91 -> 1.94	47.6% -> 35.6%	7.7% -> 6.7%	-	-	-	-	15 -> 8	r_meas, refres_r_meas, refres_lowres_r_meas
lyso_x06da_half_image	inhouse	pass	P 41 21 2	1.57	6.9 -> 4.4	116.0% -> 245.2%	0.967 -> 0.959	0.71 -> 1.02	0.278 -> 0.300	0.289 -> 0.332	0.06 -> 0.18	0.87 -> 0.92	109.0% -> 216.8%	31.5% -> 34.3%	-	-	-	-	10	isa, r_meas, cc_half, cell_dev_pct, rmodel_shell_scaled, radial_misfit, rfree, anom_sigma, refres_r_meas, refres_isa, refres_lowres_r_meas
lyso_x10sa_90deg_1	inhouse	pass	P 41 21 2	1.82	20.8 -> 20.5	17.9% -> 17.6%	0.998	0.12	0.381 -> 0.380	0.371 -> 0.369	0.11 -> 0.10	0.30 -> 0.34	15.4% -> 15.2%	4.5%	-	-	-	-	7 -> 6	anom_sigma
lyso_x10sa_strong	inhouse	pass	P 41 21 2	1.37 -> 1.36	5.4 -> 5.5	23.3% -> 23.7%	0.997 -> 0.995	0.63 -> 0.65	0.373 -> 0.378	0.365	0.13 -> 0.19	1.37 -> 1.60	23.3% -> 23.7%	11.4% -> 11.8%	-	-	-	-	34 -> 29	radial_misfit, anom_sigma
myob_x06da	inhouse	pass	P 1 21 1	1.23 -> 1.24	24.7 -> 22.9	17.0%	0.998	0.12 -> 0.13	0.229	0.233 -> 0.236	0.10 -> 0.12	3.42 -> 3.50	12.5% -> 12.7%	4.2% -> 4.4%	-	-	-	-	6 -> 8	isa, refres_isa
myob_x06da_powder_1	inhouse	pass	P 1 21 1	1.50 -> 1.73	1.7 -> 3.8	92.4% -> 74.4%	0.852 -> 0.578	0.02 -> 0.43	0.516 -> 0.492	0.542 -> 0.524	0.23 -> 0.31	0.62 -> -0.27	92.4% -> 74.4%	24.9% -> 20.1%	-	-	-	-	11 -> 9	d_min, isa, r_meas, cc_half, cell_dev_pct, rmodel_shell_scaled, radial_misfit, rfree, anom_sigma, refres_r_meas, refres_isa, refres_lowres_r_meas
myob_x06da_powder_2	inhouse	pass	P 1 21 1	1.48 -> 1.47	2.7 -> 2.3	111.4% -> 174.0%	0.916 -> 0.783	0.34 -> 0.45	0.439 -> 0.489	0.476 -> 0.500	0.14 -> 0.12	0.88 -> 1.42	111.4% -> 174.0%	45.0% -> 54.2%	-	-	-	-	10 -> 12	isa, r_meas, cc_half, rmodel_shell_scaled, rfree, anom_sigma, refres_r_meas, refres_isa, refres_lowres_r_meas
myob_x06da_sparse	inhouse	pass	P 1 21 1	1.76 -> 1.78	3.0 -> 4.4	46.3% -> 41.2%	0.903 -> 0.950	0.44 -> 0.41	0.399 -> 0.423	0.366 -> 0.423	0.14 -> 0.11	0.84 -> 1.06	39.0% -> 34.1%	17.3% -> 12.9%	-	-	-	-	11 -> 13	isa, r_meas, cc_half, rmodel_shell_scaled, rfree, anom_sigma, refres_r_meas, refres_isa, refres_lowres_r_meas
myob_x06da_split	inhouse	pass	P 1 21 1	1.21 -> 1.86	1.6 -> 2.7	288.5% -> 78.2%	0.788 -> 0.700	0.24 -> 0.20	0.473 -> 0.397	0.484 -> 0.402	0.13 -> 0.17	-0.18 -> 0.39	169.7% -> 78.2%	28.9% -> 22.1%	-	-	-	-	11 -> 9	d_min, isa, r_meas, cc_half, rmodel_shell_scaled, rfree, anom_sigma, refres_r_meas, refres_isa, refres_lowres_r_meas
myob_x10sa	inhouse	pass	P 1 21 1	1.55 -> 1.56	10.4 -> 11.1	17.8% -> 17.0%	0.995 -> 0.996	0.30	0.245 -> 0.242	0.246	0.05 -> 0.04	2.06 -> 2.04	16.2% -> 15.5%	7.7%	-	-	-	-	10	isa, refres_isa
thau_micromax_pink	inhouse	pass	P 41 21 2	1.24	15.9 -> 15.7	8.7% -> 8.8%	0.999	0.16 -> 0.21	0.190	0.212 -> 0.207	0.20 -> 0.18	4.03 -> 3.90	8.6% -> 8.7%	4.9%	-	-	-	-	12 -> 10	rfree
thau_x10sa_0p1deg	inhouse	pass	P 41 21 2	1.91 -> 1.89	10.7 -> 10.8	14.4% -> 14.6%	0.998	0.23 -> 0.22	0.236 -> 0.238	0.231 -> 0.237	0.02 -> 0.03	1.32 -> 1.33	13.6% -> 13.8%	6.9% -> 6.7%	-	-	-	-	16 -> 14	completeness, rfree
yag_x10sa_20keV	inhouse	pass	I a -3 d	0.67 -> 0.66	2.8 -> 2.9	41.2% -> 40.3%	0.697 -> 0.640	0.03	-	-	-	-	41.2% -> 40.2%	46.1% -> 44.7%	0.0970 -> 0.1005	0.2338 -> 0.2385	1.112 -> 1.110	0.548 -> 0.533	13 -> 11	isa, cc_half, refres_isa, SHELXL r1
2wnn	open	pass	P 1 21 1	1.44 -> 1.43	14.2 -> 15.2	7.1% -> 6.7%	0.997 -> 0.998	0.11 -> 0.09	0.279	0.286 -> 0.287	0.18 -> 0.19	1.01 -> 1.04	-	-	-	-	-	-	22	isa, r_meas, completeness
2wnq	open	fail	C 2 2 21	1.66 -> 1.65	10.3 -> 10.6	10.8% -> 10.9%	0.997	68.58 -> 68.38	0.535 -> 0.536	0.541 -> 0.537	0.28 -> 0.18	-0.04 -> -0.06	-	-	-	-	-	-	28 -> 26	cell_dev_pct, radial_misfit, anom_sigma
2wnz	open	pass	P 1 21 1	1.84 -> 1.85	14.7 -> 17.4	12.3% -> 11.1%	0.996 -> 0.997	0.13 -> 0.20	0.207 -> 0.202	0.233 -> 0.229	0.23 -> 0.21	0.91 -> 0.99	-	-	-	-	-	-	27 -> 21	isa, r_meas, rmodel_shell_scaled, anom_sigma
2xfw	open	pass	P 1 21 1	1.56 -> 1.54	14.3 -> 15.3	14.3% -> 14.1%	0.996	0.13 -> 0.07	0.200 -> 0.198	0.221 -> 0.219	0.17 -> 0.16	1.08 -> 1.18	-	-	-	-	-	-	58 -> 48	isa, anom_sigma
3inp	open	pass	F 41 3 2	1.70	13.2	10.8% -> 10.5%	0.999	0.04	0.239 -> 0.237	0.239	0.07 -> 0.08	2.94 -> 3.15	-	-	-	-	-	-	33 -> 22	anom_sigma, time
3ky7	open	pass	P 43 3 2	1.92	12.2	10.7% -> 10.6%	0.999	0.03	0.339	0.335 -> 0.334	0.04 -> 0.05	0.43 -> 0.38	-	-	-	-	-	-	17 -> 19	anom_sigma
3mc4	open	pass	R 3:H	1.79	12.4 -> 12.1	10.1% -> 10.2%	0.994	0.06 -> 0.15	0.253 -> 0.251	0.257 -> 0.256	0.08 -> 0.06	1.42 -> 1.55	-	-	-	-	-	-	9 -> 6	anom_sigma
3meb	open	pass	P 1 21 1	1.53 -> 1.70	14.6 -> 13.2	11.9% -> 14.5%	0.993 -> 0.987	0.71 -> 0.91	0.198 -> 0.202	0.200 -> 0.205	0.54 -> 0.09	0.30 -> -0.16	-	-	-	-	-	-	9 -> 5	d_min, isa, r_meas, cc_half, completeness, radial_misfit, anom_sigma
3r6o	open	fail	I 41 2 2	1.53	4.4	19.5% -> 19.3%	0.984 -> 0.985	0.57 -> 0.54	0.302	0.308	0.62 -> 0.72	1.35 -> 1.31	-	-	-	-	-	-	5 -> 4	radial_misfit
4bwl	open	fail	C 2 2 21	1.68	14.4 -> 13.7	14.0% -> 14.6%	0.998	72.04 -> 72.05	0.522	0.521 -> 0.532	0.14 -> 0.13	0.11 -> 0.12	-	-	-	-	-	-	20 -> 21	rfree, anom_sigma
5cc8	open	fail	P 21 21 21	1.53	11.3 -> 10.8	8.0% -> 8.1%	0.997	0.06 -> 0.11	0.171 -> 0.168	0.184 -> 0.182	0.17 -> 0.24	4.04 -> 4.51	-	-	-	-	-	-	10 -> 7	completeness, radial_misfit, anom_sigma
5ebi	open	fail	C 2 2 21	0.85 -> 0.86	10.9	12.3% -> 12.2%	0.998	40.33 -> 40.36	0.579 -> 0.580	0.574 -> 0.572	0.14 -> 0.13	-0.09 -> -0.10	-	-	-	-	-	-	21 -> 14	anom_sigma
5epe	open	pass	F 2 3	1.77 -> 1.78	9.9 -> 11.1	16.5% -> 23.9%	0.998 -> 0.997	0.00 -> 0.03	0.173 -> 0.177	0.181 -> 0.183	0.11 -> 0.15	11.96 -> 9.63	-	-	-	-	-	-	30 -> 20	isa, r_meas, anom_sigma, time
5j23	open	pass	R 3:H	2.18 -> 2.20	11.6 -> 11.5	14.8%	0.996	0.15	0.225 -> 0.226	0.233	0.13 -> 0.12	0.79 -> 0.83	-	-	-	-	-	-	26 -> 22	anom_sigma
5jk4	open	pass	P 1 21 1	1.06 -> 0.96	14.9 -> 14.5	8.8% -> 9.1%	0.786 -> 0.998	0.17 -> 0.15	0.106 -> 0.111	0.120 -> 0.128	0.08 -> 0.15	3.78 -> 3.69	-	-	-	-	-	-	11 -> 9	d_min, cc_half, completeness, radial_misfit, rfree
5jvn	open	pass	P 6 2 2	2.23	15.7 -> 14.9	16.4% -> 16.5%	0.998	0.03	0.228	0.249 -> 0.246	0.14 -> 0.12	1.36 -> 1.40	-	-	-	-	-	-	29	isa
5ky6	open	pass -> fail	P 1 21 1 -> P 1 2 1	1.54 -> 1.50	6.1 -> 6.9	25.6% -> 18.7%	0.986 -> 0.987	0.64 -> 1.03	0.233 -> 0.245	0.243 -> 0.263	0.12 -> 0.17	0.54 -> 0.68	-	-	-	-	-	-	26 -> 18	verdict pass->fail, space group, d_min, isa, r_meas, completeness, cell_dev_pct, rmodel_shell_scaled, radial_misfit, rfree, anom_sigma
5lzl	open	pass	P 31 2 1	2.86 -> 2.89	15.0 -> 14.6	17.1% -> 18.5%	0.997	0.30 -> 0.37	0.222	0.229	0.14	1.27 -> 1.28	-	-	-	-	-	-	22 -> 10	r_meas, time
5mln	open	pass	P 21 21 2	1.26 -> 1.27	21.5 -> 21.0	10.4%	0.999	0.10 -> 0.25	0.181 -> 0.182	0.188 -> 0.189	0.14 -> 0.15	2.19 -> 2.07	-	-	-	-	-	-	17 -> 14	anom_sigma
5nw5	open	pass	P 21 21 21	7.06 -> 7.04	7.8 -> 8.4	33.2% -> 32.8%	0.928 -> 0.937	0.19 -> 0.24	0.392 -> 0.396	0.464 -> 0.462	0.27 -> 0.24	0.16 -> 0.11	-	-	-	-	-	-	11 -> 16	isa, cc_half, anom_sigma
5ojv	open	pass	P 21 21 2	1.81 -> 1.85	13.2 -> 12.6	14.7% -> 14.5%	0.998 -> 0.982	0.41 -> 0.50	0.174	0.185 -> 0.186	0.14 -> 0.15	2.01 -> 1.49	-	-	-	-	-	-	33 -> 34	d_min, cc_half, anom_sigma
5reo	open	pass	C 1 2 1	1.67 -> 1.64	26.9 -> 23.0	21.9% -> 23.6%	0.990 -> 0.989	0.78 -> 0.36	0.202 -> 0.205	0.201	0.07 -> 0.06	0.72	-	-	-	-	-	-	8 -> 7	d_min, isa, r_meas, cell_dev_pct
5t39	open	pass	P 1 21 1	1.02 -> 1.00	16.1	7.3%	0.998	0.17	0.152 -> 0.151	0.160 -> 0.156	0.10 -> 0.08	6.27 -> 6.35	-	-	-	-	-	-	24 -> 21	completeness
5uth	open	pass	P 31 2 1	1.72	9.6 -> 10.4	12.4% -> 12.6%	0.997	0.21 -> 0.23	0.194 -> 0.196	0.217 -> 0.221	0.17 -> 0.18	2.87 -> 2.60	-	-	-	-	-	-	8 -> 5	isa, anom_sigma
6cs9	open	pass	P 1 21 1	1.72 -> 1.71	13.1 -> 12.9	9.8% -> 10.1%	0.998	0.06 -> 0.07	0.211	0.207 -> 0.206	0.14 -> 0.15	0.76 -> 0.79	-	-	-	-	-	-	9 -> 8	completeness
6f3p	open	pass	C 1 2 1	1.14 -> 1.15	9.4 -> 9.3	10.0%	0.997	0.19 -> 0.21	0.143	0.168 -> 0.166	0.21 -> 0.20	-3.38 -> -3.32	-	-	-	-	-	-	43 -> 32	time
6fwc	open	pass	C 2 2 2	1.41	27.3	16.4%	0.995	0.04	0.188	0.196	0.10	1.45	-	-	-	-	-	-	41 -> 14	time
6g1f	open	pass	C 1 2 1	1.93 -> 1.98	21.6 -> 20.8	11.6% -> 11.2%	0.997	0.04 -> 0.06	0.207 -> 0.206	0.223 -> 0.218	0.14 -> 0.11	1.07 -> 1.04	-	-	-	-	-	-	29 -> 24	d_min
6gvk	open	pass	C 1 2 1	1.42	19.9 -> 19.5	5.2% -> 5.3%	0.999	0.08 -> 0.13	0.201	0.214 -> 0.215	0.18	1.88 -> 2.02	-	-	-	-	-	-	20 -> 17	anom_sigma
6hv2	open	pass	P 61 2 2	1.41 -> 1.40	13.7 -> 14.6	19.7% -> 19.8%	1.000	0.04 -> 0.06	0.220 -> 0.219	0.241 -> 0.239	0.35 -> 0.26	7.82 -> 7.84	-	-	-	-	-	-	22 -> 19	isa, radial_misfit
6hwj	open	pass	P 1 21 1	1.72 -> 1.70	38.6 -> 39.0	8.6% -> 9.2%	0.999	0.12 -> 0.10	0.187 -> 0.189	0.192 -> 0.190	0.13 -> 0.10	1.60 -> 1.50	-	-	-	-	-	-	12 -> 10	r_meas, anom_sigma
6i3j	open	pass	F 2 2 2	2.32 -> 2.33	6.8 -> 7.8	24.6% -> 21.5%	0.977 -> 0.985	0.08 -> 0.17	0.203 -> 0.192	0.236 -> 0.229	0.17 -> 0.18	1.73 -> 2.07	-	-	-	-	-	-	34 -> 19	isa, r_meas, cc_half, rmodel_shell_scaled, rfree, anom_sigma, time
6iu9	open	pass	P 31	2.74 -> 2.76	5.5	14.4% -> 13.9%	0.992 -> 0.994	0.30 -> 0.20	0.311 -> 0.313	0.321 -> 0.323	0.08 -> 0.11	1.36 -> 1.47	-	-	-	-	-	-	19 -> 17	anom_sigma
6jgh	open	pass	P 21 21 21	0.87 -> 0.88	6.6 -> 6.7	23.3% -> 23.0%	0.990	0.39 -> 0.34	0.136 -> 0.134	0.156 -> 0.153	0.17 -> 0.15	2.17 -> 2.06	-	-	-	-	-	-	30 -> 28	anom_sigma
6jgj	open	pass	P 21 21 21	0.65	15.1	7.4%	0.999	0.28 -> 0.37	0.164 -> 0.163	0.167	0.06 -> 0.05	2.73 -> 2.59	-	-	-	-	-	-	39 -> 30	anom_sigma
6moj	open	pass	I 41 2 2	2.43	8.3 -> 8.4	52.4% -> 51.5%	0.998	0.08 -> 0.14	0.248	0.257 -> 0.258	0.21 -> 0.20	1.06 -> 1.14	-	-	-	-	-	-	48 -> 37	anom_sigma
6nen	open	pass	P 3 1 2	1.79 -> 1.77	6.2 -> 6.1	25.6% -> 26.2%	0.997	0.07 -> 0.17	0.208	0.218 -> 0.217	0.11 -> 0.12	0.37 -> 0.25	-	-	-	-	-	-	18 -> 13	anom_sigma
6oel	open	pass	F 41 3 2	2.83 -> 2.85	10.7 -> 10.3	47.3% -> 36.1%	0.997 -> 0.998	0.00 -> 0.09	0.249 -> 0.248	0.266 -> 0.255	0.19 -> 0.13	0.63 -> 0.61	-	-	-	-	-	-	23 -> 25	r_meas, radial_misfit, rfree
6oww	open	fail	P 41 21 2	2.72 -> 2.83	11.8 -> 12.4	201.5% -> 177.6%	0.994 -> 0.995	0.19 -> 0.24	0.361 -> 0.355	0.373 -> 0.366	0.09 -> 0.06	2.04 -> 2.06	-	-	-	-	-	-	40 -> 29	d_min, r_meas, rmodel_shell_scaled, rfree, time
6p8j	open	fail	P 21 21 2 -> P 1 1 2	1.28 -> 1.38	5.4 -> 5.0	23.7% -> 19.7%	0.990 -> 0.980	0.33 -> 0.38	0.249 -> 0.235	0.254 -> 0.245	0.09 -> 0.10	1.29 -> 0.89	-	-	-	-	-	-	64 -> 53	space group, d_min, isa, r_meas, cc_half, completeness, rmodel_shell_scaled, rfree, anom_sigma
6p8p	open	pass	P 4	1.47 -> 1.45	15.5 -> 16.0	12.5% -> 13.6%	0.998	0.14 -> 0.12	0.187 -> 0.191	0.205 -> 0.203	0.17 -> 0.11	1.90 -> 1.89	-	-	-	-	-	-	16 -> 15	r_meas, radial_misfit
6pb3	open	pass	P 6	1.85 -> 1.84	22.8 -> 24.8	6.5% -> 6.6%	1.000	0.19 -> 0.11	0.214	0.229 -> 0.227	0.11 -> 0.10	10.83 -> 10.52	-	-	-	-	-	-	36 -> 25	isa, time
6pxc	open	pass	I 2 2 2	1.41 -> 1.43	10.2 -> 10.5	8.0% -> 7.7%	0.998	0.24	0.210 -> 0.209	0.214 -> 0.215	0.16 -> 0.17	0.91 -> 0.67	-	-	-	-	-	-	11 -> 10	anom_sigma
6qaj	open	pass	C 2 2 21	2.70 -> 2.78	13.2 -> 12.8	24.5%	0.997 -> 0.999	0.41 -> 0.47	0.321 -> 0.320	0.331	0.22 -> 0.19	4.45 -> 4.32	-	-	-	-	-	-	22 -> 15	d_min
6r72	open	pass	P 1 21 1	4.39	18.0 -> 16.6	16.6% -> 16.5%	1.000	1.32 -> 1.47	0.362 -> 0.364	0.367 -> 0.369	0.04	0.13	-	-	-	-	-	-	21 -> 19	isa
6s1u	open	pass	P 1 21 1	1.75 -> 1.76	13.7 -> 13.4	22.4% -> 22.2%	0.989 -> 0.991	0.13	0.202 -> 0.201	0.200 -> 0.199	0.09 -> 0.11	0.63 -> 0.58	-	-	-	-	-	-	11 -> 10	anom_sigma
6ukf	open	pass	P 1 21 1	0.95	9.3 -> 9.9	10.0% -> 9.8%	0.998	0.24 -> 0.07	0.165 -> 0.164	0.161 -> 0.159	0.06 -> 0.02	2.26 -> 2.38	-	-	-	-	-	-	41 -> 35	isa, anom_sigma
6yqf	open	pass	P 21 21 2	3.39 -> 3.23	4.8 -> 5.0	41.7% -> 65.4%	0.983 -> 0.995	0.71 -> 0.80	0.407 -> 0.435	0.436 -> 0.459	0.13 -> 0.21	0.18 -> -0.16	-	-	-	-	-	-	17 -> 28	d_min, r_meas, cc_half, rmodel_shell_scaled, radial_misfit, rfree, anom_sigma, time
6z8o	open	pass	P 1 21 1	2.21 -> 2.16	14.0 -> 14.5	17.4% -> 19.0%	0.996 -> 0.995	0.63 -> 0.61	0.275 -> 0.283	0.281 -> 0.289	0.07 -> 0.06	1.25 -> 1.18	-	-	-	-	-	-	12	d_min, r_meas, completeness, rmodel_shell_scaled, rfree, anom_sigma
6z9g	open	fail	P 1 21 1	1.60 -> 1.67	14.8 -> 14.5	11.5% -> 12.5%	0.997 -> 0.996	22.48 -> 21.74	0.531 -> 0.536	0.542 -> 0.547	0.18 -> 0.15	0.01 -> 0.06	-	-	-	-	-	-	22 -> 17	d_min, r_meas, completeness, cell_dev_pct, rfree, anom_sigma
6ze4	open	pass	P 21 21 21	1.30 -> 1.29	10.3 -> 10.5	19.8% -> 20.5%	0.992 -> 0.988	0.62 -> 0.48	0.216 -> 0.222	0.223 -> 0.226	0.09 -> 0.06	1.73	-	-	-	-	-	-	43 -> 35	rmodel_shell_scaled
6zqr	open	pass	P 4	1.76 -> 1.77	9.1 -> 8.9	19.4% -> 20.0%	0.995	0.40 -> 0.33	0.197	0.204 -> 0.202	0.17 -> 0.15	1.34 -> 1.42	-	-	-	-	-	-	15 -> 14	anom_sigma
6zqy	open	pass	P 4	1.71 -> 1.69	12.3 -> 13.0	22.7% -> 22.0%	0.994	0.11 -> 0.12	0.219 -> 0.209	0.226 -> 0.217	0.15	1.20 -> 1.44	-	-	-	-	-	-	15 -> 26	isa, rmodel_shell_scaled, rfree, anom_sigma, time
6zr0	open	pass	P 4	1.67 -> 1.64	23.4 -> 25.2	13.3% -> 12.9%	0.996 -> 0.993	0.08 -> 0.07	0.218 -> 0.215	0.218	0.05 -> 0.07	1.67 -> 1.82	-	-	-	-	-	-	24 -> 23	isa, anom_sigma
7arr	open	pass	P 1	0.92	18.9 -> 18.7	3.7% -> 3.8%	0.999	0.28 -> 0.14	0.154 -> 0.155	0.165 -> 0.162	0.20 -> 0.17	0.06 -> -0.41	-	-	-	-	-	-	28 -> 23	anom_sigma
7atg	open	pass	P 21 21 21	0.60	22.9 -> 23.1	5.2% -> 5.1%	0.994	0.10 -> 0.02	0.128 -> 0.125	0.178 -> 0.160	0.21 -> 0.13	6.63 -> 6.77	-	-	-	-	-	-	24 -> 31	radial_misfit, rfree
7bgt	open	pass	P 1	1.78 -> 1.79	17.2 -> 16.9	13.7% -> 13.6%	0.993	0.32 -> 0.36	0.195	0.207	0.12	0.24 -> 0.22	-	-	-	-	-	-	9	anom_sigma
7bgu	open	pass	P 1	2.30 -> 2.32	10.0 -> 16.2	12.6% -> 10.8%	0.938 -> 0.942	0.17 -> 0.12	0.285 -> 0.254	0.303 -> 0.266	0.13 -> 0.09	0.28 -> -0.36	-	-	-	-	-	-	7	isa, r_meas, rmodel_shell_scaled, rfree, anom_sigma
7dkp	open	pass	P 1 21 1	1.18 -> 1.20	26.0 -> 26.5	11.9% -> 12.2%	0.998	0.03 -> 0.14	0.158 -> 0.159	0.161 -> 0.163	0.08 -> 0.12	2.84 -> 2.71	-	-	-	-	-	-	23 -> 20	completeness
7mzt	open	unscored	P 21 21 21	3.15 -> 3.18	3.1 -> 3.8	356.5% -> 417.1%	0.966 -> 0.977	0.56 -> 0.63	0.414	0.419	0.10	0.06 -> -0.18	-	-	-	-	-	-	30 -> 28	isa, r_meas, cc_half, anom_sigma
7n2s	open	pass	P 1 21 1	2.56	9.9 -> 14.5	56.5% -> 58.6%	0.918 -> 0.927	0.07 -> 0.04	0.299 -> 0.301	0.309 -> 0.316	0.12	0.30 -> 0.11	-	-	-	-	-	-	10 -> 9	isa, cc_half, rfree, anom_sigma
7os3	open	pass	P 21 21 21	1.96	24.3 -> 23.8	8.4% -> 8.9%	0.999	0.11 -> 0.17	0.181 -> 0.183	0.194 -> 0.192	0.16 -> 0.13	6.13 -> 5.74	-	-	-	-	-	-	24 -> 23	anom_sigma
7ou1	open	pass	P 1 21 1	1.40 -> 1.39	9.1 -> 9.0	15.9% -> 15.7%	0.991	0.04 -> 0.05	0.202	0.209	0.10	1.51 -> 1.48	-	-	-	-	-	-	17 -> 14	completeness
7q6j	open	pass	P 21 21 21	2.00	11.0 -> 10.0	14.4% -> 14.5%	0.996 -> 0.998	0.25 -> 0.40	0.224	0.235 -> 0.234	0.14 -> 0.12	1.67 -> 1.42	-	-	-	-	-	-	22 -> 21	isa, anom_sigma
7qij	open	pass	P 21 21 21	3.59 -> 3.62	9.4 -> 9.2	24.1% -> 24.5%	0.996	0.36 -> 0.42	0.357 -> 0.359	0.364 -> 0.366	0.07 -> 0.06	0.20 -> 0.16	-	-	-	-	-	-	79 -> 77	anom_sigma
7qis	open	pass	P 61	1.80 -> 1.76	16.6 -> 17.2	20.7% -> 21.2%	0.997	0.44 -> 0.06	0.165 -> 0.166	0.190 -> 0.193	0.19 -> 0.20	1.32 -> 1.41	-	-	-	-	-	-	35 -> 20	d_min, cell_dev_pct, anom_sigma, time
7raa	open	pass	P 41 21 2	2.58 -> 2.64	11.1 -> 10.4	17.0% -> 17.8%	1.000	0.04 -> 0.10	0.296 -> 0.297	0.337 -> 0.335	0.26 -> 0.19	0.53 -> 0.49	-	-	-	-	-	-	22 -> 19	d_min, isa, radial_misfit, anom_sigma
7rji	open	pass	R 3 2:H	1.49 -> 1.47	8.4 -> 7.8	13.1% -> 15.6%	0.999	0.29 -> 0.12	0.205 -> 0.208	0.198 -> 0.196	0.12 -> 0.08	6.89 -> 6.80	-	-	-	-	-	-	19 -> 17	isa, r_meas
7tcd	open	pass	C 1 2 1	1.66 -> 1.67	18.4 -> 18.0	8.6% -> 8.8%	0.999	0.23 -> 0.26	0.191	0.212	0.20 -> 0.21	1.19 -> 1.11	-	-	-	-	-	-	20 -> 18	anom_sigma
8a1a	open	pass	P 61	1.89 -> 1.91	20.5 -> 19.2	51.6% -> 52.5%	0.997 -> 0.998	0.16 -> 0.26	0.178 -> 0.177	0.180 -> 0.179	0.03	1.76 -> 1.79	-	-	-	-	-	-	67 -> 54	isa
8c3e	open	fail	P 6 2 2	1.78 -> 1.79	5.6 -> 5.9	29.2% -> 29.4%	0.979 -> 0.980	0.24	0.359	0.391 -> 0.399	0.22 -> 0.28	1.46 -> 0.91	-	-	-	-	-	-	3 -> 2	isa, radial_misfit, rfree, anom_sigma
8iya	open	pass	C 1 2 1	1.91 -> 1.90	5.9 -> 5.8	21.4% -> 22.4%	0.989 -> 0.988	0.16 -> 0.33	0.247 -> 0.248	0.235 -> 0.233	0.03 -> 0.05	0.38 -> 0.22	-	-	-	-	-	-	7 -> 6	anom_sigma
8owm	open	pass	P 1	1.48 -> 1.50	22.2 -> 21.1	10.2% -> 10.8%	0.998	0.02 -> 0.06	0.163 -> 0.164	0.178 -> 0.174	0.13 -> 0.10	1.37 -> 1.32	-	-	-	-	-	-	53 -> 44	isa, r_meas
8qj5	open	pass	P 1 21 1	1.32 -> 1.43	8.5 -> 8.3	17.4% -> 16.5%	0.996	0.44 -> 0.51	0.189 -> 0.181	0.204 -> 0.197	0.13	1.59 -> 1.41	-	-	-	-	-	-	16	d_min, r_meas, rmodel_shell_scaled, rfree, anom_sigma
8qq7	open	pass	P 62 2 2	3.16 -> 3.15	6.3 -> 6.0	19.2% -> 20.0%	0.998	0.61	0.431 -> 0.402	0.431 -> 0.408	0.37	0.64 -> 0.70	-	-	-	-	-	-	11 -> 9	isa, rmodel_shell_scaled, rfree, anom_sigma
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	0.289 -> 0.287	0.13 -> 0.16	0.14 -> 0.31	-	-	-	-	-	-	20 -> 21	d_min, isa, rmodel_shell_scaled, anom_sigma
8rud	open	pass	P 1 21 1	1.64 -> 1.65	12.4	32.6% -> 32.2%	0.992	0.40 -> 0.42	0.246 -> 0.247	0.255 -> 0.256	0.09	0.70 -> 0.77	-	-	-	-	-	-	45 -> 42	anom_sigma
8sa8	open	pass	I 1 2 1	1.10 -> 1.11	22.0 -> 21.7	11.7% -> 11.8%	0.999	0.02 -> 0.01	0.155	0.169 -> 0.170	0.14 -> 0.15	3.79	-	-	-	-	-	-	77 -> 44	time
8sqo	open	pass	P 4 3 2	1.32 -> 1.31	14.2 -> 13.9	23.5% -> 25.2%	1.000	0.13 -> 0.15	0.183 -> 0.185	0.206 -> 0.200	0.18 -> 0.11	7.00 -> 6.55	-	-	-	-	-	-	22 -> 18	r_meas, radial_misfit, rfree, anom_sigma
8sqt	open	pass	F 4 3 2	1.86 -> 1.83	17.9 -> 24.1	19.3% -> 21.0%	1.000	0.10	0.217 -> 0.222	0.217 -> 0.225	0.14 -> 0.15	3.15 -> 2.88	-	-	-	-	-	-	50 -> 23	isa, r_meas, rfree, anom_sigma, time
8t7r	open	pass	C 1 2 1	3.23 -> 3.30	7.8 -> 10.2	31.3% -> 32.7%	0.984 -> 0.985	0.28 -> 0.39	0.284	0.285 -> 0.288	0.08 -> 0.10	0.43 -> 0.37	-	-	-	-	-	-	51 -> 39	d_min, isa, anom_sigma
8tha	open	pass	P 62	1.32 -> 1.34	27.6 -> 26.4	16.6% -> 15.8%	0.999	0.17 -> 0.20	0.212 -> 0.209	0.221 -> 0.218	0.09	4.46 -> 4.30	-	-	-	-	-	-	16 -> 13	r_meas
8tyy	open	pass	F 4 3 2	1.28 -> 1.27	16.3 -> 16.2	16.5% -> 16.6%	0.999	0.06 -> 0.02	0.160 -> 0.161	0.180 -> 0.179	0.15 -> 0.14	13.55 -> 13.49	-	-	-	-	-	-	126 -> 84	time
8v2t	open	pass	P 42 21 2	1.19 -> 1.15	11.9 -> 12.3	9.1% -> 8.0%	0.999	0.35 -> 0.20	0.166 -> 0.167	0.182 -> 0.180	0.20 -> 0.21	10.66 -> 10.97	-	-	-	-	-	-	13	d_min, r_meas, completeness
8v4o	open	pass	P 61 2 2	2.11 -> 2.12	14.8 -> 15.4	31.7% -> 30.8%	0.998	0.44 -> 0.06	0.235	0.254 -> 0.251	0.16 -> 0.15	0.84 -> 0.97	-	-	-	-	-	-	43 -> 36	cell_dev_pct, anom_sigma
8xbp	open	pass	C 1 2 1	1.66 -> 1.68	18.6 -> 18.8	11.1% -> 11.0%	0.999	0.15 -> 0.19	0.313 -> 0.312	0.329 -> 0.330	0.18 -> 0.19	1.22 -> 1.16	-	-	-	-	-	-	15 -> 18	completeness
8xte	open	pass	P 31 2 1	1.64	13.0 -> 12.4	24.8% -> 25.1%	0.996	0.02 -> 0.07	0.274 -> 0.275	0.287	0.13	0.92 -> 0.95	-	-	-	-	-	-	65 -> 21	time
8xtf	open	pass	R 3 2:H	1.84	7.7 -> 7.6	86.8% -> 86.6%	0.988	0.23	0.192 -> 0.193	0.187 -> 0.186	0.05 -> 0.04	1.39 -> 1.51	-	-	-	-	-	-	23 -> 26	anom_sigma
8xtg	open	pass	P 31 2 1	1.54 -> 1.55	7.3 -> 7.6	27.4% -> 26.7%	0.994	0.05	0.274 -> 0.273	0.284 -> 0.287	0.14 -> 0.15	0.90 -> 0.88	-	-	-	-	-	-	43 -> 20	time
9b22	open	pass	P 1 21 1	1.14	16.4	6.2%	0.999	0.07	0.159 -> 0.160	0.166 -> 0.165	0.12 -> 0.10	0.14 -> 0.06	-	-	-	-	-	-	13	anom_sigma
9bn8	open	pass	P 41	1.21 -> 1.19	19.8	8.1% -> 8.0%	1.000	0.09 -> 0.10	0.151	0.159 -> 0.162	0.11 -> 0.13	3.78 -> 3.80	-	-	-	-	-	-	21 -> 15	completeness
9c18	open	pass	P 1	1.72 -> 1.74	10.9 -> 10.5	26.9% -> 26.1%	0.987 -> 0.988	0.61 -> 0.74	0.220 -> 0.219	0.221 -> 0.219	0.07	0.67 -> 0.73	-	-	-	-	-	-	8 -> 7	anom_sigma
9e2t	open	pass	P 1	2.29 -> 2.35	6.9 -> 6.6	28.5% -> 29.2%	0.992 -> 0.991	0.06 -> 0.10	0.229	0.232	0.06 -> 0.05	0.42 -> 0.38	-	-	-	-	-	-	52 -> 48	d_min, anom_sigma
9ea5	open	pass	P 1 21 1	1.64 -> 1.66	26.8 -> 26.7	17.9% -> 18.0%	0.997	0.85 -> 0.11	0.196 -> 0.195	0.202 -> 0.201	0.11	1.20 -> 1.21	-	-	-	-	-	-	27 -> 17	completeness, cell_dev_pct
9fcf	open	pass	P 4	1.76 -> 1.78	7.2 -> 7.1	31.6% -> 34.9%	0.995	0.04 -> 0.21	0.290 -> 0.286	0.294 -> 0.292	0.06 -> 0.07	0.90 -> 0.77	-	-	-	-	-	-	44 -> 39	r_meas, anom_sigma
9fhc	open	pass	I 2 3	1.92 -> 1.89	12.3 -> 11.9	16.9% -> 16.7%	0.998 -> 0.999	0.25 -> 0.27	0.239	0.244 -> 0.246	0.07 -> 0.10	1.22 -> 1.36	-	-	-	-	-	-	49 -> 36	anom_sigma, time
9gqg	open	pass	P 31 2 1	1.83 -> 1.82	12.9 -> 11.9	11.9% -> 12.3%	0.998	0.01	0.233	0.246 -> 0.250	0.15 -> 0.14	1.53 -> 1.27	-	-	-	-	-	-	15	isa, anom_sigma
9h0q	open	pass	R 3 2:H	2.10 -> 2.11	18.6 -> 18.2	17.4% -> 17.0%	0.998	0.41 -> 0.42	0.205 -> 0.206	0.214 -> 0.218	0.11 -> 0.12	1.10 -> 1.16	-	-	-	-	-	-	31 -> 30	anom_sigma
9hnc	open	fail	P 1 21 1	1.63 -> 1.64	13.6	12.8%	0.998	0.09 -> 0.07	0.246 -> 0.245	0.255 -> 0.254	0.15	0.88	-	-	-	-	-	-	62 -> 30	time
9hs7	open	pass	P 61	1.68 -> 1.66	13.8 -> 11.5	10.9% -> 11.8%	0.999	0.07 -> 0.12	0.212 -> 0.210	0.240 -> 0.242	0.36	1.36 -> 1.22	-	-	-	-	-	-	18 -> 19	isa, r_meas, anom_sigma
9i0a	open	pass	P 21 21 2	1.80 -> 1.81	12.2 -> 11.6	19.5% -> 20.1%	0.999	0.45 -> 0.36	0.225 -> 0.227	0.233 -> 0.231	0.10 -> 0.08	1.07 -> 0.91	-	-	-	-	-	-	45 -> 30	anom_sigma, time
9lxl	open	pass	P 41 21 2	2.06 -> 2.08	6.2	41.9% -> 42.1%	0.996 -> 0.997	0.49 -> 0.62	0.306 -> 0.300	0.321 -> 0.314	0.10 -> 0.09	0.69 -> 0.75	-	-	-	-	-	-	19	rmodel_shell_scaled, rfree, anom_sigma
9min	open	fail	P 21 21 2	1.86	10.5 -> 9.9	26.5% -> 27.8%	0.999 -> 0.998	36.97 -> 37.01	0.566 -> 0.564	0.577 -> 0.574	0.21	0.00 -> -0.03	-	-	-	-	-	-	52 -> 48	isa, r_meas, anom_sigma
9o0h	open	pass	P 21 21 21	2.04 -> 2.01	5.8 -> 5.4	64.3% -> 67.7%	0.983 -> 0.985	0.11 -> 0.34	0.241	0.253 -> 0.251	0.09 -> 0.07	0.12 -> 0.33	-	-	-	-	-	-	44 -> 41	isa, r_meas, cell_dev_pct, anom_sigma
9p7q	open	pass	C 1 2 1	1.76 -> 1.78	11.0 -> 10.8	23.7% -> 29.5%	0.986	0.14 -> 0.13	0.270 -> 0.268	0.283 -> 0.281	0.04 -> 0.05	0.86 -> 0.72	-	-	-	-	-	-	11 -> 9	r_meas, completeness, anom_sigma
9pbb	open	pass	C 1 2 1	1.80 -> 1.81	16.2 -> 16.7	22.9% -> 23.6%	0.994 -> 0.993	0.15	0.234 -> 0.233	0.234 -> 0.231	0.03	0.38 -> 0.45	-	-	-	-	-	-	15 -> 11	anom_sigma
9q41	open	pass	C 2 2 21	1.68	7.9 -> 7.5	29.0% -> 31.7%	0.985 -> 0.982	0.20 -> 0.21	0.188 -> 0.192	0.194 -> 0.192	0.10 -> 0.04	0.47 -> 0.35	-	-	-	-	-	-	18 -> 16	r_meas, radial_misfit, anom_sigma
9q66	open	pass	P 1 21 1	2.02 -> 2.07	13.1 -> 13.0	32.2% -> 30.9%	0.990	0.34 -> 0.39	0.204 -> 0.201	0.216 -> 0.214	0.08	0.66	-	-	-	-	-	-	22 -> 18	d_min
9qvv	open	pass	I 2 2 2	2.49 -> 2.53	37.5 -> 38.1	11.1% -> 10.8%	1.000	0.42 -> 0.08	0.236 -> 0.251	0.241 -> 0.248	0.18 -> 0.23	1.67 -> 1.69	-	-	-	-	-	-	17	completeness, cell_dev_pct, rmodel_shell_scaled, rfree
9qw2	open	pass	P 1 21 1	1.74 -> 1.82	7.8 -> 6.4	18.8% -> 22.3%	0.959 -> 0.960	0.77 -> 0.62	0.242 -> 0.243	0.246 -> 0.253	0.04 -> 0.05	0.60 -> 0.12	-	-	-	-	-	-	21 -> 22	d_min, isa, r_meas, rfree, anom_sigma
9qw8	open	pass	P 1	1.70 -> 1.69	9.6 -> 5.2	19.8% -> 27.0%	0.990 -> 0.975	0.46 -> 0.67	0.294 -> 0.323	0.312 -> 0.329	0.15 -> 0.14	0.28 -> 0.30	-	-	-	-	-	-	30 -> 34	isa, r_meas, cc_half, cell_dev_pct, rmodel_shell_scaled, rfree, anom_sigma
9rci	open	pass	P 1	1.65 -> 1.69	8.3 -> 7.5	19.3% -> 21.3%	0.990 -> 0.988	0.18 -> 0.33	0.247 -> 0.264	0.253 -> 0.270	0.13 -> 0.09	0.55 -> 0.32	-	-	-	-	-	-	21 -> 13	d_min, isa, r_meas, rmodel_shell_scaled, rfree, anom_sigma
9rcs	open	pass	P 1 21 1	3.27 -> 3.28	7.3 -> 7.4	23.1%	0.994 -> 0.995	0.93 -> 0.85	0.317	0.340 -> 0.341	0.12	0.35 -> 0.47	-	-	-	-	-	-	14 -> 12	anom_sigma
9rp9	open	pass	C 1 2 1	1.90 -> 1.96	31.8 -> 28.6	15.8% -> 16.4%	0.998	0.16 -> 0.25	0.205 -> 0.202	0.236 -> 0.234	0.15 -> 0.12	2.41 -> 2.31	-	-	-	-	-	-	19 -> 13	d_min, isa
9s02	open	pass	P 21 21 2	1.42 -> 1.43	26.0 -> 25.6	10.3% -> 10.5%	0.999	0.06 -> 0.09	0.180	0.188 -> 0.186	0.10 -> 0.09	2.25 -> 2.26	-	-	-	-	-	-	43 -> 26	time
9sl0	open	pass	P 21 21 21	1.36 -> 1.37	20.2 -> 20.0	8.0%	1.000	0.35 -> 0.39	0.245	0.255 -> 0.254	0.16 -> 0.15	2.21 -> 2.23	-	-	-	-	-	-	31 -> 48	time
9t6s	open	pass	P 21 21 21	1.75	29.3 -> 28.4	11.0% -> 10.9%	0.999	0.06 -> 0.41	0.215	0.231 -> 0.230	0.03	2.49 -> 2.44	-	-	-	-	-	-	12 -> 18	cell_dev_pct
9upt	open	pass	P 6	2.03	6.4 -> 6.5	25.0% -> 24.4%	0.989	0.20	0.219 -> 0.218	0.218	0.08 -> 0.09	1.23 -> 1.32	-	-	-	-	-	-	19	anom_sigma
9vyb	open	pass	P 21 21 21	1.67	22.0 -> 22.2	8.2%	0.999 -> 1.000	0.39 -> 0.41	0.246 -> 0.247	0.253 -> 0.254	0.08 -> 0.07	0.44 -> 0.41	-	-	-	-	-	-	31 -> 29	anom_sigma
9w3y	open	pass	P 21 21 21	1.21 -> 1.22	19.6 -> 18.6	24.2% -> 24.3%	0.997	0.24 -> 0.33	0.187 -> 0.185	0.197 -> 0.196	0.09	4.89 -> 4.90	-	-	-	-	-	-	9 -> 8	isa
9yzk	open	pass	I 1 2 1	3.86 -> 3.87	7.1 -> 8.8	30.9% -> 31.9%	0.996 -> 0.999	0.20 -> 0.26	0.357 -> 0.352	0.420 -> 0.410	0.38 -> 0.32	0.21 -> 0.13	-	-	-	-	-	-	10	isa, rmodel_shell_scaled, radial_misfit, rfree, anom_sigma
9z44	open	pass	I 1 2 1	6.84 -> 6.78	9.8 -> 9.5	22.4% -> 21.8%	0.975 -> 0.974	1.43 -> 1.25	0.335 -> 0.333	0.324 -> 0.328	0.17 -> 0.15	-0.05 -> 0.02	-	-	-	-	-	-	28 -> 15	lattice, anom_sigma, time
9z72	open	pass	P 31 2 1	1.93 -> 2.00	14.7 -> 14.9	92.2% -> 93.3%	0.990 -> 0.988	0.15 -> 0.14	0.244 -> 0.241	0.260 -> 0.256	0.07 -> 0.04	0.74 -> 0.73	-	-	-	-	-	-	46 -> 33	d_min, time
9zlo	open	pass	P 21 21 21	1.56	24.0 -> 23.5	12.1% -> 12.0%	0.999	0.39 -> 0.26	0.224 -> 0.221	0.231 -> 0.230	0.06 -> 0.07	1.84 -> 1.73	-	-	-	-	-	-	18 -> 16	anom_sigma
9zmu	open	pass	P 61 2 2	1.71 -> 1.72	11.1 -> 11.3	31.4% -> 29.8%	0.999	0.07	0.276 -> 0.277	0.283 -> 0.282	0.16 -> 0.15	1.28 -> 1.23	-	-	-	-	-	-	25 -> 20	r_meas
cytidine	open	pass	P 21 21 21	0.58	8.7 -> 8.5	10.3% -> 10.2%	0.993 -> 0.997	0.31 -> 0.33	-	-	-	-	-	-	0.0613 -> 0.0644	0.1759 -> 0.1842	1.061 -> 1.075	0.039 -> 0.072	10 -> 6	SHELXL r1, SHELXL wr2, SHELXL exti
dnba	open	pass	C 1 2/c 1	0.81	35.9 -> 39.5	2.5% -> 2.4%	1.000	0.06 -> 0.09	-	-	-	-	-	-	0.0267 -> 0.0269	0.0708 -> 0.0710	1.071 -> 1.070	0.002 -> 0.003	5	isa
lalanine	open	pass	P 21 21 21	0.65	40.7 -> 52.1	2.5% -> 2.6%	1.000	0.07 -> 0.09	-	-	-	-	-	-	0.0309 -> 0.0367	0.0922 -> 0.1095	1.149 -> 1.137	0.000	8	isa, r_meas, SHELXL r1, SHELXL wr2
metformin	open	pass	P 1 21/c 1	0.51	31.1 -> 31.0	3.1%	1.000	0.17	-	-	-	-	-	-	0.0323 -> 0.0326	0.0959 -> 0.1031	1.103 -> 1.123	0.000	3	SHELXL wr2
nidppe	open	pass	P 1 21/c 1	0.51	32.9 -> 29.7	7.9% -> 8.0%	0.999	0.28	-	-	-	-	-	-	0.0414 -> 0.0420	0.1021 -> 0.1050	1.035 -> 1.038	0.004	4 -> 3	isa

146 KiB Raw Blame History