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leonarski_fandClaude Opus 5.5 11122e4924 Docs: battery report of the rc.175 branch after phase 1, with commentary and figures

Full open and in-house battery on 9ced4c444 (run 20261007-2139_9ced4c_rc175-p1-baseline) against
the rc.173 battery, without the REFMAC check: R-free figure and numbers are kept from the rc.174
battery (20261005-2102_3770f4_rc174-final-refmac). No verdict changed from rc.174; 2ygz is new and
fails. Two sets lost quality at the 50 % pre-pass default (outlier-laden outer shell on 5jk4,
runaway cut on the in-house split myoglobin set); fraction 1 restores them, but nearby fractions do
too and a fixed cut gives equal statistics, so the pre-pass only tips two existing weaknesses (an
unmasked dead edge row; a noisy half-set CC1/2 on a multi-domain crystal). 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

2026-10-08 00:15:34 +02:00

157 KiB

Raw Blame History

Rugnux battery - 20261007-2139_9ced4c_rc175-p1-baseline

rugnux 1.0.0-rc.175, sha256 16730ce02a83fe3b, build flags: Release CXX_FLAGS='-march=x86-64-v3' CUDA=ON
runner 9ced4c444, host mpc2898.psi.ch, 2026-10-07T21:39:52 -> 2026-10-07T23:22:05
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 (without --model where there is no deposited model: small molecules, unpublished sets)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 9ced4c444 (the release 1.0.0-rc.175 plus the split of the rotation pipeline into several files and the exact speed-ups of the run's tail since), built with the CI flags and run once per set, against the rc.173 battery as baseline. The REFMAC model check was not run again: the R-free figure and the R-free numbers quoted below are those 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 no verdict changed from rc.173 or rc.174.

Verdicts. Open arm 188 pass / 12 fail / 3 not scored over 203 sets, in-house 46 / 1 over 47. No verdict changed from rc.174 on the 249 sets both runs have. The one new set, 2ygz (a pseudo-merohedrally twinned P2_1 crystal whose cell mimics C222_1), fails by calling the orthorhombic group; it joins the seven other point groups called too high on twinned or pseudo-symmetric crystals (2wnq, 4bwl, 5ebi, 6oww, 6p8j, 8c3e, 3r6o). The rest are as before: two screw axes (5cc8, 9hnc), two halved lattices (6z9g, 9min), and KDP, scored against I-42d while Rugnux reports the group with the same absences, I4_1md.
Data read as deposited. Three open-arm sets now read files repaired from their repositories (a truncated HDF5 data file of 8sqt, the master and metadata files of one 9qvv sweep, the last frame of 6zr0), and 8owm and 8rud read the deposited compressed CBF files directly. 8sqt, which now has all its images, moved most: d_min 1.88 to 1.86 A, R_model 0.223 to 0.217, ISa 29.9 to 17.9. 8rud's cut is coarser (1.57 to 1.64 A); the others are within noise.
Resolution. Rugnux's own cut is finer than the deposited one on 174 of 184 structures. The median change from rc.174 is zero. The 50 % geometry pre-pass, the default since rc.175, moved a few cuts: coarser on 6yqf (3.02 to 3.39 A), 9z44, 8r5r, 7qis and 5jk4, finer on 9rci and 9z72. Two sets move for a worse reason: on 5jk4 the outermost shell carries outliers (CC1/2 0.04 there, 0.79 overall, against 0.998 at rc.174), and on the in-house myob_x06da_split, a weak crystal with several misoriented domains, the cut runs to 1.21 A where I/sigma is 0.4. Both return to their rc.174 results with --prepass-fraction 1, but the pre-pass is only what tips them: other fractions near 0.5 give the good result, and the same cut gives the same statistics at 0.5 and 1. The underlying weaknesses are an unmasked dead edge row on the 5jk4 frames, from which one observation with a huge sigma swamps the unweighted half-set correlation, and a half-set CC1/2 that is noise past 2 A on the multi-domain crystal; both are open.
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 median over all 250 sets is 18.4 s (rc.174: 28 s); open arm 21 s (rc.174 33 s), in-house 11 s (rc.174 14 s). On the sets both runs have, the median time ratio to rc.174 is 0.75 on the open arm and 0.79 on the in-house arm, and the whole battery took 97 min of processing against 190 min. Two things are mixed in that gain: the code (the 50 % pre-pass, the P1 cross-check dropped, a faster scaling tail) and the storage, since the data now sit on an SSD where the rc.174 run read part of them from a hard disk. The largest sets gained most for that second reason (8qaw 401 to 132 s, 9gdj 289 to 88 s). The slowest sets are now 8qaw (132 s), 8tyy (126 s) and 9gdj (88 s); in house, lyso_x10sa_strong (34 s) and the two no-crystal controls (17-19 s). No set shared the GPU.
Small molecules. SHELXL R1 against the published structures: aspirin 0.036-0.037, citric acid 0.038, HEPES 0.032 and KDP 0.048; YAG (0.097, rc.174 0.102) and L-cystine (0.11-0.14, rc.174 0.14-0.16) 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	188	4	12	3	0	188/200 (94%)	+12.1%	13.6	13.7%	21	87.7
inhouse	47	46	0	1	0	0	46/47 (98%)	+6.4%	21.8	9.8%	11	8.9

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%)	+11.5%
open	cbf	97	90/95 (95%)	+12.2%
open	cdte	3	3/3 (100%)	+5.2%
open	cubic	13	13/13 (100%)	+15.2%
open	diffuse	4	4/4 (100%)	+9.9%
open	h5	57	56/57 (98%)	+12.6%
open	hexagonal	16	15/15 (100%)	+13.8%
open	home-source	11	8/11 (73%)	+13.2%
open	long-axis	2	2/2 (100%)	+17.5%
open	long-wavelength	1	1/1 (100%)	-
open	low-resolution	1	1/1 (100%)	-8.6%
open	marCCD	15	14/15 (93%)	+12.8%
open	marccd	8	8/8 (100%)	+11.7%
open	monoclinic	50	43/50 (86%)	+11.8%
open	nxs	2	1/1 (100%)	+8.4%
open	orthorhombic	48	45/47 (96%)	+12.1%
open	pseudo-merohedral	5	2/5 (40%)	+8.1%
open	pseudo-symmetry	7	5/7 (71%)	+9.3%
open	small-molecule	6	5/5 (100%)	-12.9%
open	smv	22	17/22 (77%)	+9.8%
open	tetragonal	24	23/24 (96%)	+10.0%
open	tncs	5	3/5 (60%)	+12.6%
open	triclinic	13	13/13 (100%)	+9.5%
open	trigonal	19	18/19 (95%)	+13.7%
open	twin	15	10/15 (67%)	+10.0%
open	two-wavelength	2	2/2 (100%)	+10.8%
inhouse	control	2	2/2 (100%)	-
inhouse	cubic	1	1/1 (100%)	+2.2%
inhouse	cytochrome-c	3	3/3 (100%)	+9.2%
inhouse	h5	47	46/47 (98%)	+6.4%
inhouse	hexagonal	2	2/2 (100%)	-
inhouse	insulin	9	9/9 (100%)	+5.2%
inhouse	iodine	2	2/2 (100%)	+16.8%
inhouse	long-wavelength	7	7/7 (100%)	+1.1%
inhouse	lysozyme	12	12/12 (100%)	+6.9%
inhouse	monoclinic	3	3/3 (100%)	+2.6%
inhouse	myoglobin	6	6/6 (100%)	+11.3%
inhouse	orthorhombic	1	1/1 (100%)	+2.6%
inhouse	pink-beam	3	3/3 (100%)	+15.5%
inhouse	small-molecule	8	7/8 (88%)	+2.6%
inhouse	tetragonal	1	0/1 (0%)	+10.3%
inhouse	thaumatin	7	7/7 (100%)	+2.7%
inhouse	twin	4	4/4 (100%)	+5.7%

Distributions (sets that merged, controls left out)

arm	metric	n	min	q1	median	q3	max
open	ISa	203	3.1	9.6	13.6	19.6	45.2
open	R_meas	203	2.5%	8.8%	13.7%	22.4%	356.5%
open	CC1/2	203	0.786	0.994	0.998	0.999	1.000
open	res. gain %	199	-68.3	+7.7	+12.1	+16.9	+34.3
open	low-res shell R_meas	203	1.5%	4.1%	5.5%	8.2%	36.7%
open	R_model, shell-scaled	196	0.096	0.180	0.208	0.247	0.579
open	R_free (placement, within-run only)	196	0.120	0.188	0.218	0.255	0.577
open	radial misfit	196	0.03	0.09	0.13	0.17	0.62
open	R_free ratio	196	0.814	0.956	1.032	1.114	3.396
open	anomalous map at the scatterers, sigma	196	-3.38	0.70	1.48	3.51	29.12
open	dCC vs depositor, all	194	-0.317	-0.018	-0.004	+0.003	+0.195
open	dCC vs depositor, outer 2 shells	194	-0.665	-0.034	-0.001	+0.029	+0.319
open	CC(Fc^2) past the deposited limit	179	-0.028	0.230	0.297	0.367	0.925
open	time s	203	3	13	21	33	132
inhouse	ISa	44	1.6	7.8	21.8	32.8	53.3
inhouse	R_meas	45	2.6%	6.3%	9.8%	24.8%	288.5%
inhouse	CC1/2	45	0.697	0.998	0.999	1.000	1.000
inhouse	res. gain %	43	-49.0	+2.2	+6.4	+11.8	+21.5
inhouse	ref-range ISa / XDS	43	0.151	0.880	1.113	1.269	6.166
inhouse	ref-range R_meas / XDS	43	0.207	0.847	0.954	1.045	2.941
inhouse	low-res shell R_meas	45	2.1%	3.6%	4.8%	9.3%	46.1%
inhouse	ref-range low-res R_meas / XDS	43	0.267	0.871	1.057	1.149	3.176
inhouse	ref-range CC1/2 noise / XDS	43	0.03	0.33	0.56	0.82	14.54
inhouse	R_model, shell-scaled	37	0.183	0.227	0.253	0.289	0.516
inhouse	R_free (placement, within-run only)	37	0.175	0.234	0.287	0.332	0.542
inhouse	radial misfit	37	0.02	0.07	0.10	0.16	0.27
inhouse	R_free ratio	37	0.941	1.226	1.527	1.747	2.488
inhouse	anomalous map at the scatterers, sigma	37	-0.18	1.35	3.18	6.17	11.43
inhouse	time s	45	4	7	10	13	34

Per set, against the reference

Plot in report.html: open: d_min(rugnux, own cut) / d_min(reference), one point per set, sorted; below 1 = finer than the reference

Plot in report.html: inhouse: d_min(rugnux, own cut) / d_min(reference), one point per set, sorted; below 1 = finer than the reference

Plot in report.html: inhouse: ISa of the reference-range table (the error model refitted on it) / XDS's ISa; above 1 = rugnux's error model is the better one. One point per set, sorted.

Plot in report.html: inhouse: R_meas over the reference range / XDS's R_meas; below 1 = rugnux's merge is the more consistent one. One point per set, sorted.

Plot in report.html: inhouse: R_meas of the lowest-resolution shell of the reference-range table / of XDS's table; below 1 = rugnux's strong reflections agree better. One point per set, sorted.

Plot in report.html: inhouse: half-set noise over the reference range read off CC1/2 (1 / CC1/2 - 1) / XDS's; 2 = as noisy as XDS's merge would be with half its observations (not scored). One point per set, sorted.

Plot in report.html: R_free of the deposited model against our merge, as rugnux reports it with --model (a rigid-body placement, scored on rugnux's own free set: a trend number, not a refinement) / the R_free the depositor published, one point per set, sorted; below 1 = lower than published

Against the depositor's data

Per resolution shell, the rank correlation of our merged intensities with |Fc|^2 minus that of the depositor's own data, on the reflections both carry (d < 4 A, eight shells of equal count), |Fc| from the deposited model as it is (no bulk solvent, no refinement; depdata_check.py). The model was refined against the depositor's data, so zero is already a good result: across a corpus the median sits near -0.01. 'Past the limit' is CC(I, |Fc|^2) of our reflections in the outermost of up to three shells beyond the deposited data's limit, which the model never saw: clearly above zero there is signal. Reported, never scored.

set	dep. data	our d_min	dep. d_min	common refl.	dCC all	dCC outer 2	CC past limit	to d A	REFMAC ratio	ISa	tags
3r6o	F	1.53	1.95	16810	-0.312	-0.665	0.117	1.54	-	4.4	smv, tetragonal, home-source
2wnq	F	1.66	1.80	101895	-0.148	-0.628	0.040	1.65	-	10.3	smv, monoclinic, twin, pseudo-merohedral
2xfw	F	1.56	1.65	147573	-0.131	-0.534	0.242	1.56	-	14.3	smv, monoclinic, twin, pseudo-merohedral
4bwl	F	1.68	2.00	72820	-0.317	-0.520	0.117	1.68	-	14.4	smv, monoclinic, twin, pseudo-merohedral
3p85	F	1.62	1.90	24299	-0.162	-0.406	0.260	1.62	-	8.1	smv, hexagonal, home-source
2wnz	F	1.84	1.85	96595	-0.105	-0.396	0.079	1.84	-	14.7	smv, monoclinic, pseudo-symmetry
9qw2	F	1.74	1.92	43869	-0.171	-0.357	0.228	1.74	-	7.8	cbf, monoclinic, pseudo-symmetry
2wnn	F	1.44	1.65	123470	-0.054	-0.350	0.202	1.44	-	14.2	smv, monoclinic, twin, pseudo-merohedral
3mc4	F	1.79	1.95	24530	-0.161	-0.333	0.279	1.79	-	12.4	smv, trigonal, home-source
9qw8	I	1.70	1.80	38370	-0.188	-0.326	0.197	1.70	-	9.6	h5, triclinic
9lxl	I	2.06	2.19	18039	-0.277	-0.270	0.070	2.05	-	6.2	h5, tetragonal
7bgu	I	2.30	2.43	14571	-0.094	-0.247	0.009	2.30	-	10.0	marCCD, triclinic
9hnc	F	1.63	1.88	404704	-0.062	-0.237	0.376	1.63	-	13.6	cbf, monoclinic
6r72	F	4.39	3.95	18968	-0.092	-0.229	-	-	-	18.0	h5, monoclinic
6zqy	F	1.71	1.85	47653	-0.044	-0.221	0.206	1.71	-	12.3	smv
6yqf	I	3.39	3.33	889	-0.133	-0.212	-	-	-	4.8	cbf, orthorhombic
9rcs	I	3.27	3.01	2048	-0.217	-0.183	-	-	-	7.3	h5, monoclinic, cdte
6ze4	I	1.30	1.60	136762	-0.119	-0.158	0.274	1.31	-	10.3	cbf, orthorhombic
5ky6	F	1.54	1.94	98443	-0.074	-0.143	0.159	1.54	-	6.1	marccd
8r5r	F	2.89	3.08	12960	-0.087	-0.133	0.222	2.89	-	15.1	h5, orthorhombic
3meb	F	1.53	1.90	37414	-0.028	-0.118	0.358	1.54	-	14.6	smv, monoclinic, home-source
8qq7	I	3.16	3.62	5507	-0.103	-0.108	-0.028	3.16	-	6.3	cbf, hexagonal
8k1g	F	1.63	2.09	34025	-0.077	-0.107	0.281	1.62	-	11.7	cbf, tetragonal
7arr	I	0.92	1.10	47827	-0.036	-0.103	0.294	0.92	-	18.9	cbf, triclinic
9pbb	I	1.80	2.16	11551	-0.049	-0.101	0.155	1.80	-	16.2	cbf, monoclinic
6u7g	I	1.89	2.35	87246	-0.055	-0.100	0.239	1.88	-	13.3	h5, monoclinic
6zqr	F	1.76	1.93	37169	-0.050	-0.095	0.300	1.76	-	9.1	smv
5epe	F	1.77	1.90	22792	-0.015	-0.093	0.313	1.77	-	9.9	marCCD, cubic
5t39	I	1.02	1.10	92599	-0.013	-0.086	0.364	1.01	-	16.1	marccd
9hs7	F	1.68	1.70	9595	-0.126	-0.073	0.091	1.67	-	13.8	cbf, hexagonal
6qaj	I	2.70	2.63	4165	-0.134	-0.072	-	-	-	13.2	cbf
6jgh	I	0.87	0.94	139811	-0.014	-0.069	0.332	0.87	-	6.6	marccd
5f6m	I	1.09	1.10	68757	-0.006	-0.061	0.363	1.09	-	23.1	cbf, orthorhombic, diffuse
7tcd	I	1.66	1.70	27141	-0.043	-0.059	0.086	1.66	-	18.4	h5, monoclinic
8c3e	I	1.78	2.10	4079	-0.033	-0.059	0.154	1.78	-	5.6	cbf, trigonal, home-source, twin
7os3	I	1.96	2.18	32883	-0.003	-0.053	0.357	1.96	-	24.3	cbf, orthorhombic
8dyz	I	1.14	1.27	24750	-0.007	-0.050	0.624	1.14	-	37.2	cbf, tetragonal, diffuse
6oww	F	2.72	3.84	3373	+0.035	-0.045	0.047	2.72	-	11.8	cbf, monoclinic, pseudo-symmetry
9upt	F	2.03	2.37	24480	-0.036	-0.045	0.328	2.04	-	6.4	SMV, hexagonal
6z8o	F	2.21	2.20	22415	-0.136	-0.044	-	-	-	14.0	h5, monoclinic
7brr	I	1.25	1.40	102801	-0.023	-0.043	0.276	1.25	-	16.4	h5, monoclinic
9b22	I	1.14	1.30	96597	-0.013	-0.043	0.424	1.14	-	16.4	h5, monoclinic
9p7q	I	1.76	2.21	11982	-0.031	-0.038	0.283	1.76	-	11.0	cbf, monoclinic
5vml	F	1.92	1.70	14228	-0.015	-0.036	-	-	-	10.9	smv, tetragonal, home-source
7raa	I	2.58	2.69	7523	-0.065	-0.036	0.055	2.58	-	11.1	cbf
6oel	I	2.83	3.10	13233	-0.020	-0.035	0.267	2.83	-	10.7	SMV, cubic
5reo	F	1.67	1.88	18392	-0.026	-0.035	0.349	1.67	-	26.9	cbf, monoclinic
5m17	I	0.98	1.03	185105	-0.006	-0.034	0.311	0.98	-	16.2	cbf, tetragonal
7atg	I	0.60	0.60	54560	-0.004	-0.034	-	-	-	22.9	cbf, orthorhombic
8y74	F	1.68	1.90	58040	-0.009	-0.033	0.289	1.69	-	8.7	h5, monoclinic
9qvv	I	2.49	2.72	16358	-0.014	-0.031	0.134	2.50	-	37.5	nxs, orthorhombic, pseudo-symmetry
6cdl	I	1.13	1.24	56397	-0.005	-0.031	0.545	1.12	-	9.8	marccd
6rlr	I	1.95	2.00	19974	+0.006	-0.029	0.249	1.95	-	16.3	h5, triclinic, twin
6s1u	I	1.75	1.90	17747	-0.003	-0.029	0.334	1.75	-	13.7	marccd
9zlo	I	1.56	2.00	22408	-0.012	-0.028	0.241	1.56	-	24.0	h5, orthorhombic
5lzl	F	2.86	3.47	21840	-0.014	-0.027	0.231	2.87	-	15.0	cbf, trigonal
6iu8	I	2.32	2.70	15286	+0.004	-0.025	0.172	2.32	-	8.1	cbf, trigonal
9rci	F	1.65	1.66	39565	+0.019	-0.025	0.296	1.64	-	8.3	h5, triclinic, tncs
9fhc	F	1.92	2.20	76515	-0.002	-0.024	0.353	1.92	-	12.3	marCCD, cubic
9zm0	I	1.78	2.10	13858	-0.018	-0.024	0.114	1.78	-	9.0	h5, monoclinic
6h5t	F	1.47	1.69	28184	-0.008	-0.023	0.345	1.48	-	9.2	marCCD, tetragonal
9yl4	I	3.61	3.70	1130	-0.010	-0.022	0.172	3.61	-	9.5	cbf, orthorhombic
8agq	I	0.97	1.09	98576	-0.013	-0.021	0.297	0.97	-	14.0	cbf, monoclinic
9q66	F	2.02	2.01	87917	-0.017	-0.021	-	-	-	13.1	h5, monoclinic
7kcn	I	1.39	1.46	43289	-0.011	-0.021	0.569	1.39	-	11.8	cbf, tetragonal
7mzt	I	3.15	4.05	8489	-0.068	-0.020	0.086	3.15	-	3.1	cbf, orthorhombic
9e2t	I	2.29	2.28	32079	-0.104	-0.019	-	-	-	6.9	cbf, triclinic
6iu6	I	2.36	2.90	10758	+0.001	-0.019	0.259	2.37	-	7.2	cbf, trigonal, twin
7q6j	I	2.00	2.20	41720	+0.005	-0.019	0.213	2.00	-	11.0	cbf, orthorhombic, pseudo-symmetry
9ih9	F	1.42	1.70	78427	-0.004	-0.018	0.387	1.42	-	12.9	h5, monoclinic
6iu5	I	2.12	2.25	30820	-0.010	-0.018	0.230	2.12	-	8.0	cbf, trigonal, twin
9gjx	I	2.06	2.40	52052	-0.001	-0.018	0.269	2.06	-	40.4	h5, monoclinic
6p8p	I	1.47	1.64	64791	-0.013	-0.017	0.306	1.47	-	15.5	cbf, tetragonal
6w75	F	1.69	1.95	99979	-0.009	-0.017	0.319	1.69	-	16.0	marccd
7n2s	I	2.56	2.37	10847	-0.004	-0.017	-	-	-	9.9	cbf, monoclinic
6fid	F	1.98	2.20	10527	-0.005	-0.017	0.821	1.97	-	13.5	cbf, orthorhombic
9h0q	I	2.10	2.55	45699	-0.005	-0.016	0.342	2.11	-	18.6	h5
9crw	I	2.28	2.49	53873	-0.022	-0.015	0.128	2.29	-	15.8	h5, monoclinic
9gdj	I	1.39	1.47	157444	-0.005	-0.014	0.301	1.40	-	12.7	h5, tetragonal, cdte
6w4h	F	1.62	1.80	70331	-0.003	-0.013	0.416	1.62	-	18.5	marCCD, trigonal
5uth	F	1.72	1.95	27663	-0.015	-0.013	0.438	1.73	-	9.6	smv, trigonal, home-source
8xtf	I	1.84	2.13	27230	-0.002	-0.011	0.412	1.83	-	7.7	h5, trigonal
9jq9	I	1.65	1.90	13865	+0.001	-0.010	0.510	1.65	-	19.3	cbf, orthorhombic, home-source
8dz7	I	1.19	1.34	13603	-0.002	-0.008	0.807	1.19	-	35.1	cbf, orthorhombic, diffuse
9chw	I	1.60	2.16	20358	-0.005	-0.008	0.651	1.60	-	21.5	marCCD, hexagonal
7l84	I	1.70	1.71	11375	-0.001	-0.008	-	-	-	11.5	cbf, tetragonal
5mln	F	1.26	1.59	60800	-0.012	-0.007	0.409	1.26	-	21.5	cbf
6hv2	F	1.41	1.71	19192	-0.035	-0.006	0.100	1.41	-	13.7	h5, hexagonal
6pxb	I	1.39	1.75	50825	+0.008	-0.005	0.097	1.40	-	12.1	cbf, trigonal
7ris	I	1.51	1.72	22161	-0.000	-0.005	0.222	1.51	-	30.8	h5, trigonal
6zr0	F	1.67	1.94	40650	-0.006	-0.005	0.335	1.67	-	23.4	cbf
6rym	I	1.45	1.46	17025	-0.005	-0.004	-	-	-	22.6	smv, tetragonal
6cee	I	1.38	1.55	14202	-0.001	-0.003	0.679	1.38	-	23.1	smv, orthorhombic, home-source
6o2h	I	1.10	1.21	11612	-0.002	-0.003	0.925	1.10	-	24.3	cbf, triclinic, diffuse
6fvz	F	1.49	1.80	105993	-0.015	-0.003	0.395	1.49	-	20.8	cbf, orthorhombic
6wzo	I	1.04	1.42	91611	-0.010	-0.002	0.352	1.04	-	16.8	cbf, triclinic
7bgt	I	1.78	1.93	33463	-0.004	-0.001	0.310	1.79	-	17.2	marCCD, triclinic
7l6j	F	1.51	1.78	37485	-0.002	-0.001	0.418	1.51	-	10.5	marCCD, cubic
9sl0	I	1.36	1.60	67358	+0.002	-0.000	0.244	1.37	-	20.2	h5, orthorhombic
6i3j	I	2.32	2.59	34974	-0.006	+0.001	0.370	2.32	-	6.8	marCCD, orthorhombic
6nen	I	1.79	2.15	10259	+0.003	+0.002	0.360	1.79	-	6.2	smv
3ky7	F	1.92	2.35	11401	+0.002	+0.002	0.189	1.92	-	12.2	marCCD, cubic
8tyy	I	1.28	1.68	44790	-0.001	+0.002	0.476	1.28	-	16.3	cbf, cubic
9i80	I	1.59	1.95	68449	-0.011	+0.003	0.354	1.59	-	6.8	h5, tetragonal, twin
3inp	I	1.70	2.05	26251	-0.004	+0.003	0.275	1.70	-	13.2	marCCD, cubic
8a1a	F	1.89	2.05	101603	-0.007	+0.003	0.340	1.90	-	20.5	h5, hexagonal
5ojv	I	1.81	2.06	63705	-0.031	+0.004	0.266	1.81	-	13.2	cbf, orthorhombic, pseudo-symmetry
9mh4	I	2.78	3.05	9490	+0.006	+0.006	0.212	2.79	-	13.8	h5, cubic
6gvk	I	1.42	1.55	32916	+0.002	+0.006	0.225	1.42	-	19.9	cbf, monoclinic
8dqb	I	2.05	2.50	19165	-0.002	+0.006	0.384	2.05	-	22.2	h5, cubic
8v4j	I	1.10	1.30	41379	+0.001	+0.008	0.580	1.10	-	21.9	smv, tetragonal
6v2r	I	1.38	1.57	9330	-0.000	+0.009	0.455	1.38	-	24.5	smv, tetragonal, home-source
6vww	F	1.98	2.20	58979	-0.002	+0.010	0.357	1.98	-	8.0	cbf, hexagonal, twin
5jk4	I	1.06	1.01	127242	-0.002	+0.011	-	-	-	14.9	smv, monoclinic
6cs9	I	1.72	1.85	5090	+0.000	+0.011	0.278	1.72	-	13.1	smv, monoclinic
9vyb	I	1.67	2.12	5191	-0.007	+0.012	0.353	1.67	-	22.0	h5, orthorhombic
8v2t	I	1.19	1.40	33174	+0.001	+0.013	0.373	1.18	-	11.9	cbf, tetragonal
9zmu	I	1.71	1.98	21684	-0.000	+0.014	0.201	1.71	-	11.1	h5, hexagonal
6f3p	F	1.14	1.35	235840	-0.001	+0.014	0.407	1.14	-	9.4	marccd
9ig7	F	2.02	2.60	26626	-0.006	+0.014	0.254	2.02	-	11.0	cbf, orthorhombic
8egn	F	1.63	1.95	38629	-0.011	+0.015	0.274	1.62	-	22.9	cbf, orthorhombic
8iya	F	1.91	2.43	16262	-0.001	+0.015	0.239	1.92	-	5.9	h5, monoclinic
7yzx	F	1.88	1.90	83105	-0.030	+0.016	0.322	1.88	-	10.5	cbf, hexagonal
6g1f	I	1.93	2.25	131738	+0.001	+0.016	0.237	1.93	-	21.6	cbf
6fwc	F	1.41	1.70	126460	-0.001	+0.018	0.394	1.41	-	27.3	cbf, orthorhombic
9jzo	F	1.15	1.40	47784	+0.001	+0.018	0.769	1.15	-	8.2	cbf, triclinic
8sqq	I	1.90	2.25	8697	+0.006	+0.018	0.331	1.90	-	17.6	h5, cubic
8sqt	I	1.86	2.20	9296	+0.003	+0.018	0.306	1.87	-	17.9	h5, cubic
6h2p_1p89A	F	1.76	1.88	85464	+0.001	+0.019	0.522	1.76	-	22.9	cbf, orthorhombic, long-wavelength, two-wavelength
9c18	I	1.72	1.90	25042	+0.011	+0.019	0.272	1.72	-	10.9	h5, triclinic
9bn8	I	1.21	1.35	119114	-0.001	+0.019	0.484	1.21	-	19.8	h5, tetragonal
9fcf	F	1.76	2.36	9897	-0.016	+0.021	0.125	1.76	-	7.2	cbf
7dkp	F	1.18	1.45	131345	+0.004	+0.021	0.681	1.18	-	26.0	h5, monoclinic
8pqd	F	1.31	1.50	102724	+0.003	+0.021	0.239	1.31	-	15.0	h5, orthorhombic
8qaw	F	1.30	1.55	256134	+0.001	+0.021	0.355	1.30	-	11.0	cbf, trigonal, long-axis
11if	I	1.36	1.51	27273	-0.005	+0.022	0.285	1.36	-	26.0	h5, tetragonal
9o0h	I	2.04	2.24	15448	+0.030	+0.022	0.270	2.04	-	5.8	cbf, orthorhombic
6jgj	F	0.65	0.77	250507	-0.050	+0.024	0.384	0.65	-	15.1	cbf, orthorhombic, cdte
5ebi	F	0.85	1.09	39168	+0.009	+0.024	0.191	0.85	-	10.9	marCCD, monoclinic, twin
36gk	F	2.09	2.28	84276	-0.011	+0.024	0.311	2.09	-	11.8	h5, orthorhombic
7qis	F	1.80	1.83	93158	+0.014	+0.024	0.284	1.81	-	16.6	cbf, hexagonal
6ukf	I	0.95	1.00	143243	+0.004	+0.025	0.347	0.95	-	9.3	cbf, monoclinic
8u0i	I	1.38	1.54	16737	+0.005	+0.025	0.344	1.38	-	17.0	cbf, tetragonal
7t5t	I	1.24	1.35	101432	-0.002	+0.025	0.250	1.24	-	16.5	cbf, tetragonal
6moj	I	2.43	2.43	13971	-0.050	+0.028	-	-	-	8.3	cbf, tetragonal
5nw5	I	7.06	6.50	9891	-0.049	+0.029	-	-	-	7.8	cbf, orthorhombic, low-resolution
8qj5	I	1.32	1.63	101763	+0.003	+0.030	0.262	1.32	-	8.5	cbf, monoclinic
8s38	F	1.63	1.89	121216	-0.003	+0.030	0.360	1.64	-	22.4	cbf, orthorhombic
9z72	I	1.93	2.38	28228	+0.008	+0.032	0.245	1.93	-	14.7	cbf, trigonal, long-axis
8sqo	I	1.32	1.55	33951	+0.002	+0.032	0.367	1.32	-	14.2	h5, cubic
5src	I	0.97	1.05	138681	+0.014	+0.033	0.240	0.97	-	19.6	cbf, tetragonal
6pxc	F	1.41	1.60	15636	+0.005	+0.035	0.299	1.41	-	10.2	cbf, orthorhombic
5cc8	F	1.53	2.00	28144	+0.039	+0.036	0.442	1.53	-	11.3	smv, orthorhombic, home-source, tncs
8xtg	I	1.54	2.00	177630	-0.004	+0.036	0.288	1.54	-	7.3	cbf, trigonal
9s02	F	1.42	1.65	187371	-0.007	+0.037	0.237	1.42	-	26.0	h5, orthorhombic
9ea5	I	1.64	2.00	51543	+0.008	+0.040	0.315	1.64	-	26.8	cbf, monoclinic
9yzk	I	3.86	4.50	13466	+0.002	+0.041	0.024	3.87	-	7.1	cbf, monoclinic
7pq7	F	1.37	1.55	51889	-0.001	+0.041	0.151	1.38	-	14.1	cbf, monoclinic
8xte	I	1.64	1.99	195244	+0.005	+0.041	0.307	1.64	-	13.0	cbf, trigonal
9khr	I	1.38	2.00	11649	+0.008	+0.042	0.277	1.38	-	9.5	marCCD, orthorhombic
6iu9	I	2.74	3.00	9191	+0.007	+0.042	0.143	2.73	-	5.5	cbf, trigonal, twin
8tha	I	1.32	1.68	8018	+0.001	+0.044	0.317	1.33	-	27.6	cbf, hexagonal
6h2p_native	F	1.32	1.48	188243	-0.006	+0.044	0.298	1.32	-	20.1	cbf, orthorhombic, two-wavelength
9w3y	I	1.21	1.50	61343	+0.007	+0.044	0.449	1.20	-	19.6	h5, orthorhombic
6pb3	I	1.85	2.05	15267	-0.003	+0.045	0.238	1.85	-	22.8	cbf, hexagonal
8owm	F	1.48	1.70	293908	+0.005	+0.045	0.389	1.48	-	22.2	cbf, triclinic
8v4o	I	2.11	2.70	59576	+0.008	+0.046	0.266	2.12	-	14.8	h5, hexagonal
7ph1	F	1.08	1.18	120936	-0.007	+0.050	0.378	1.08	-	16.0	cbf, orthorhombic
8sa8	I	1.10	1.30	409824	+0.008	+0.051	0.485	1.10	-	22.0	h5, monoclinic
6hwj	I	1.72	1.98	52133	+0.008	+0.053	0.369	1.71	-	38.6	cbf, monoclinic
8t7r	I	3.23	3.84	13698	+0.042	+0.053	0.285	3.23	-	7.8	cbf, monoclinic
8rud	I	1.64	2.10	77721	+0.004	+0.053	0.351	1.65	-	12.4	cbf, monoclinic
7n0i	I	1.64	1.80	117514	+0.016	+0.056	0.132	1.65	-	10.6	cbf, orthorhombic, tncs
7orr	I	1.62	1.79	16877	+0.001	+0.056	0.359	1.62	-	26.3	h5, cubic
8oic	I	2.31	2.51	78747	-0.018	+0.057	0.226	2.31	-	19.9	h5, triclinic
9q41	I	1.68	1.95	42195	+0.001	+0.059	0.395	1.67	-	7.9	h5, orthorhombic
9rp9	I	1.90	2.10	19430	+0.024	+0.059	0.301	1.90	-	31.8	h5, monoclinic
7qij	I	3.59	4.10	135378	+0.026	+0.062	0.082	3.60	-	9.4	cbf, orthorhombic
9fcg	F	1.39	1.54	37976	+0.002	+0.062	0.452	1.39	-	9.7	cbf, tetragonal
6jgi	I	0.75	0.85	187106	+0.003	+0.069	0.409	0.75	-	8.5	marCCD, orthorhombic
9gqg	I	1.83	2.00	15522	+0.014	+0.070	0.260	1.83	-	12.9	h5, trigonal
6ttn	I	1.05	1.12	126156	+0.013	+0.070	0.266	1.05	-	14.8	cbf, orthorhombic
9z44	I	6.84	7.20	1890	+0.006	+0.076	0.082	6.83	-	9.8	cbf, monoclinic
7ou1	F	1.40	1.65	176468	+0.009	+0.086	0.393	1.40	-	9.1	marccd
7rji	I	1.49	1.71	16698	+0.004	+0.087	0.322	1.49	-	8.4	cbf, trigonal
5jvn	I	2.23	2.90	21045	+0.029	+0.090	0.235	2.23	-	15.7	cbf, hexagonal
7k1l	F	1.91	2.25	54383	+0.012	+0.093	0.335	1.91	-	10.0	cbf, hexagonal
9t6s	I	1.75	2.00	25144	+0.018	+0.094	0.237	1.75	-	29.3	h5, orthorhombic, tncs
8ys9	I	1.31	1.46	75646	+0.007	+0.096	0.378	1.31	-	15.3	h5, orthorhombic
6p8j	I	1.28	1.47	191664	+0.004	+0.121	0.385	1.28	-	5.4	cbf, monoclinic, pseudo-symmetry
6toc	I	1.64	1.85	6080	+0.015	+0.132	0.359	1.64	-	24.8	cbf, tetragonal, twin
9i0a	F	1.80	2.22	60317	+0.005	+0.140	0.174	1.80	-	12.2	h5, orthorhombic
8xbp	F	1.66	2.00	24156	+0.013	+0.243	0.116	1.66	-	18.6	h5, monoclinic
5j23	F	2.18	2.30	56769	+0.195	+0.319	0.404	2.18	-	11.6	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	85.3 / 84.0	6.0 / 3.1	43.6	3.0% / 3.3%	2.2% / 3.3% (2.04 / 2.01)	0.9996 / 0.999	0.27	36.3 / 27.4	like for like
aspirin_x10sa_25keV	inhouse	50.000 0.550	0.53	87.6 / 86.6	6.0 / 3.1	35.5	3.1% / 3.4%	2.2% / 3.2% (1.65 / 1.63)	0.9996 / 0.999	0.27	36.6 / 29.2	like for like
citricacid_x10sa_20keV	inhouse	50.000 0.680	0.67	83.2 / 82.0	5.8 / 3.1	45.5	3.5% / 4.1%	3.8% / 5.0% (2.04 / 2.02)	0.9986 / 0.997	0.40	24.2 / 20.4	like for like
cytc_x06da_1	inhouse	50.000 1.875	1.70	100.0 / 99.9	10.4 / 7.7	14.8	8.4% / 8.4%	3.7% / 3.3% (5.59 / 5.58)	0.9995 / 0.999	0.33	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	12.9	9.1% / 9.7%	3.5% / 3.2% (5.05 / 5.03)	0.9996 / 0.999	0.27	21.5 / 27.0	like for like
cytc_x10sa	inhouse	50.000 2.039	1.95	99.9 / 99.8	10.6 / 10.7	9.5	18.0% / 23.2%	3.9% / 3.6% (6.08 / 6.05)	0.9990 / 0.999	0.67	27.0 / 31.8	like for like
hepes_x10sa_20keV	inhouse	50.000 0.680	0.66	93.0 / 91.8	10.4 / 5.7	81.7	2.6% / 3.1%	3.5% / 3.7% (2.04 / 2.00)	0.9991 / 0.999	0.60	38.8 / 28.5	like for like
insu_H_x06da_notwin	inhouse	50.000 1.544	1.42	98.7 / 97.4	4.8 / 3.5	15.6	5.9% / 6.8%	4.2% / 4.5% (4.61 / 4.61)	0.9988 / 0.998	0.48	20.7 / 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	12.5% / 11.8%	10.3% / 10.6% (4.35 / 4.34)	0.9868 / 0.988	1.06	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	26.6% / 27.9%	8.1% / 9.3% (4.88 / 4.85)	0.9983 / 0.998	0.68	29.0 / 18.8	like for like
insu_I_x06da_5keV	inhouse	50.000 2.450	2.43	96.0 / 91.7	15.4 / 11.2	33.9	6.2% / 7.3%	4.4% / 4.8% (7.28 / 7.21)	0.9995 / 0.999	0.33	28.1 / 17.5	like for like
insu_I_x06da_5keV_2	inhouse	50.000 2.450	2.42	96.3 / 91.8	15.9 / 12.7	27.1	7.9% / 7.6%	5.7% / 4.8% (7.28 / 7.21)	0.9992 / 0.999	0.53	24.9 / 20.0	like for like
insu_I_x06da_6keV	inhouse	50.000 2.040	2.03	95.0 / 92.4	15.5 / 12.4	34.8	5.8% / 6.5%	4.7% / 4.7% (6.08 / 6.03)	0.9995 / 0.999	0.33	20.8 / 17.9	like for like
insu_I_x06da_low_isa	inhouse	50.000 1.300	1.44	74.2 / 90.8	16.6 / 13.3	7.7	22.6% / 22.0%	16.1% / 16.7% (3.89 / 3.92)	0.9949 / 0.998	2.04	5.6 / 4.2	coverage: own cut 1.44 A is coarser than the reference, 1 shell(s) not merged
insu_I_x06da_ref	inhouse	50.000 1.621	1.40	100.0 / 100.0	16.1 / 13.8	17.3	25.6% / 34.9%	6.1% / 14.3% (4.84 / 4.82)	0.9994 / 0.998	0.24	33.2 / 25.1	like for like
insu_I_x06da_weak	inhouse	999.000 1.080	1.64	29.3 / 92.4	40.1 / 29.0	15.6	16.8% / 40.1%	6.2% / 5.4% (3.24 / 3.22)	0.9997 / 0.999	0.20	14.9 / 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	46.7	5.0% / 24.1%	4.6% / 17.2% (2.22 / 2.06)	0.9990 / 0.969	0.03	25.3 / 4.1	like for like
lysoI_micromax_mono	inhouse	50.000 1.650	1.35	100.0 / 100.0	6.5 / 6.8	22.2	5.8% / 6.8%	3.1% / 2.8% (4.93 / 4.99)	0.9994 / 0.999	0.40	39.3 / 31.4	like for like
lysoI_micromax_pink	inhouse	50.000 1.650	1.40	100.0 / 100.0	6.5 / 6.8	20.2	6.7% / 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	24.5	4.7% / 4.7%	2.5% / 2.3% (4.48 / 4.54)	0.9996 / 1.000	0.80	41.1 / 39.9	like for like
lyso_micromax_pink	inhouse	50.000 1.450	1.21	99.9 / 99.9	5.8 / 6.0	21.6	4.9% / 5.1%	2.4% / 2.2% (4.34 / 4.39)	0.9996 / 1.000	0.80	41.6 / 37.4	like for like
lyso_x06da_5keV	inhouse	50.000 2.450	2.44	88.2 / 86.4	11.1 / 8.8	34.3	5.7% / 6.4%	5.4% / 4.7% (7.28 / 7.22)	0.9991 / 0.998	0.36	27.5 / 19.4	like for like
lyso_x06da_atten_wedge	inhouse	50.000 1.264	1.19	100.0 / 99.9	13.4 / 11.0	8.8	47.6% / 23.9%	7.7% / 6.9% (3.78 / 3.76)	0.9981 / 0.998	0.76	13.2 / 16.6	like for like
lyso_x06da_half_image	inhouse	50.000 1.650	1.57	100.0 / 99.6	5.5 / 5.3	3.9	109.0% / 59.5%	31.5% / 25.8% (4.93 / 4.91)	0.8133 / 0.958	5.17	7.0 / 6.6	like for like
lyso_x06da_ice	inhouse	50.000 1.431	1.34	100.0 / 100.0	10.5 / 11.9	9.4	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	36.0	4.3% / 4.5%	2.7% / 2.9% (3.59 / 3.58)	0.9998 / 1.000	0.40	30.4 / 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	15.4% / 18.2%	4.5% / 4.9% (5.86 / 5.83)	0.9955 / 0.995	0.82	20.8 / 20.8	like for like
lyso_x10sa_90deg_2	inhouse	50.000 1.973	1.84	100.0 / 99.3	3.5 / 3.5	6.8	15.2% / 18.0%	4.6% / 5.1% (5.88 / 5.86)	0.9955 / 0.994	0.69	19.2 / 18.1	like for like
lyso_x10sa_strong	inhouse	999.000 1.180	1.37	64.3 / 65.8	21.7 / 11.5	9.3	23.3% / 11.2%	11.4% / 7.7% (3.54 / 3.52)	0.9974 / 0.998	1.04	5.4 / 8.6	coverage: own cut 1.37 A is coarser than the reference, 2 shell(s) not merged
myob_x06da	inhouse	50.000 1.422	1.23	99.8 / 99.4	3.5 / 3.5	7.5	12.5% / 23.2%	4.2% / 10.5% (4.25 / 4.23)	0.9963 / 0.987	0.27	26.1 / 7.6	like for like
myob_x06da_powder_1	inhouse	50.000 1.495	1.50	97.8 / 74.2	5.5 / 2.9	1.1	92.4% / 49.3%	24.9% / 12.5% (4.47 / 4.44)	0.8517 / 0.966	4.87	1.7 / 5.5	like for like
myob_x06da_powder_2	inhouse	999.000 0.990	1.48	30.5 / 58.0	5.5 / 4.7	1.0	111.4% / 110.6%	45.0% / 70.6% (2.97 / 2.98)	0.9163 / 0.655	0.17	2.7 / 2.2	coverage: own cut 1.48 A is coarser than the reference, 4 shell(s) not merged
myob_x06da_sparse	inhouse	50.000 2.000	1.76	100.0 / 73.7	5.6 / 5.2	3.1	39.0% / 32.6%	17.3% / 14.6% (5.96 / 5.92)	0.9015 / 0.972	3.73	3.2 / 5.5	like for like
myob_x06da_split	inhouse	50.000 1.506	1.21	99.9 / 77.7	5.9 / 4.4	0.8	169.7% / 57.7%	28.9% / 9.1% (4.50 / 4.48)	0.8039 / 0.984	14.54	1.9 / 12.4	like for like
myob_x10sa	inhouse	50.000 1.742	1.55	98.1 / 97.7	3.2 / 3.3	5.7	16.2% / 24.7%	7.7% / 18.6% (5.20 / 5.16)	0.9896 / 0.965	0.29	10.6 / 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%	5.6% / 3.9% (9.26 / 9.23)	0.9969 / 0.997	0.89	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	6.4% / 6.2%	5.2% / 3.9% (7.57 / 7.56)	0.9979 / 0.998	0.84	35.6 / 35.6	like for like
thau_bl1a_6p5keV	inhouse	100.000 1.780	1.73	93.2 / 91.8	9.0 / 8.0	19.6	7.3% / 7.2%	4.6% / 4.1% (5.33 / 5.33)	0.9988 / 0.999	0.80	43.7 / 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	8.6% / 8.0%	4.9% / 4.0% (4.19 / 4.17)	0.9991 / 0.999	0.60	16.0 / 21.2	like for like
thau_x10sa_0p1deg	inhouse	50.000 2.197	1.91	99.5 / 99.0	11.4 / 11.4	12.4	13.6% / 23.0%	6.9% / 10.4% (6.54 / 6.51)	0.9980 / 0.997	0.57	10.8 / 9.2	like for like
thau_x10sa_16keV	inhouse	50.000 1.300	1.22	94.3 / 94.3	18.5 / 18.4	24.9	7.1% / 7.2%	2.8% / 2.7% (3.89 / 3.89)	0.9998 / 1.000	0.40	53.5 / 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	33.1 / 36.2	like for like
yag_x10sa_20keV	inhouse	50.000 0.680	0.67	99.6 / 99.0	35.9 / 28.4	20.9	41.2% / 43.2%	46.1% / 43.6% (2.04 / 1.99)	0.9148 / 0.947	1.65	2.8 / 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	0.0613 (3657)	0.1759	1.061	0.039	0.047 / 0.10	0.27 / -0.24	0.0865 / 0.0882	1.009	0.1084	ok
dnba	open	4510615	0.81	0.0267 (1171)	0.0708	1.071	0.002	0.030 / 1.85	0.21 / -0.21	0.0202 / 0.0227	1.008	0.0792	ok
lalanine	open	2311261	0.65	0.0309 (1071)	0.0922	1.149	0.000	0.049 / 0.10	0.23 / -0.25	0.0193 / 0.0252	1.018	0.0427	ok
metformin	open	2108029	0.51	0.0323 (4453)	0.0959	1.103	0.000	0.041 / 0.40	0.59 / -0.38	0.0282 / 0.0205	1.012	0.0376	ok
nidppe	open	2012031	0.51	0.0414 (9286)	0.1021	1.035	0.004	0.037 / 0.56	0.59 / -0.67	0.0726 / 0.0526	0.993	0.1544	ok
aspirin_x10sa_20keV	inhouse	7050897	0.66	0.0370 (2292)	0.1152	1.125	0.009	0.060 / 0.31	0.41 / -0.39	0.0274 / 0.0171	1.006	0.0821	ok
aspirin_x10sa_25keV	inhouse	7050897	0.53	0.0358 (4379)	0.1167	1.079	0.013	0.069 / 0.11	0.53 / -0.45	0.0286 / 0.0180	1.005	0.0904	ok
citricacid_x10sa_20keV	inhouse	5000063	0.67	0.0375 (2092)	0.1029	1.087	0.140	0.052 / 0.37	0.43 / -0.27	0.0318 / 0.0230	1.008	0.2756	ok
hepes_x10sa_20keV	inhouse	2224210	0.66	0.0315 (3358)	0.0907	1.070	0.049	0.054 / 0.74	0.43 / -0.57	0.0252 / 0.0124	1.017	0.0412	ok
kdp_x10sa_20keV	inhouse	9009999	0.66	0.0475 (305)	0.1213	1.391	0.028	0.000 / 6.40	0.81 / -0.76	0.0494 / 0.0240	0.990	0.2659	ok
lcystine_x10sa_20keV	inhouse	1513328	0.66	0.1078 (1155)	0.2854	1.112	0.000	0.138 / 3.47	0.92 / -0.93	0.3961 / 0.1359	1.130	0.1750	ok
lcystine_x10sa_25keV	inhouse	1513328	0.53	0.1440 (2291)	0.4009	1.513	0.000	0.200 / 0.00	2.13 / -2.24	0.2628 / 0.0876	1.224	0.2328	ok
yag_x10sa_20keV	inhouse	2003066	0.67	0.0970 (249)	0.2338	1.112	0.548	0.170 / 29.54	2.08 / -6.46	0.5284 / 0.1133	0.824	0.1691	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
6z9g	open	lattice_halved	primitive volume ratio 0.50
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_over	P 21 21 2 vs reference P 1 21 1
kdp_x10sa_20keV	inhouse	sym_other	I 41 m d vs reference I -4 2 d

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	0.12	0.997	1.36	1.51	+10.0%	88.5	11.1	4.8%	2.8%	1.000	26.0	-	-	0.192	0.137	0.966	0.189	0.197	0.210	0.900	3.000	0.022	ACCEPTED	10	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	0.11	1.003	1.44	1.65	+12.5%	73.7	3.6	7.1%	4.5%	0.997	14.2	-	-	0.279	0.180	0.913	0.286	0.284	0.249	1.149	1.010	-0.350	NOT_TESTED	22
2wnq	open	fail	C 2 2 21	P 1 21 1	68.58	0.998	1.66	1.80	+8.1%	97.1	7.1	10.8%	6.0%	0.997	10.3	-	-	0.535	0.277	0.397	0.541	0.548	0.253	2.139	-0.040	-0.628	NOT_TESTED	28	C 2 2 21 vs reference P 1 21 1
2wnz	open	pass	P 1 21 1	P 1 21 1	0.13	1.001	1.84	1.85	+0.5%	99.6	3.7	12.3%	4.1%	0.996	14.7	-	-	0.207	0.230	0.936	0.233	0.238	0.225	1.036	0.910	-0.396	NOT_TESTED	27
2xfw	open	pass	P 1 21 1	P 1 21 1	0.13	1.000	1.56	1.65	+5.4%	99.7	3.7	14.3%	4.3%	0.996	14.3	-	-	0.200	0.168	0.950	0.221	0.219	0.182	1.217	1.080	-0.534	ACCEPTED	58
2ygz	open	fail	C 2 2 21	P 1 21 1	39.58	1.000	1.71	1.80	+5.0%	99.7	14.4	26.1%	10.7%	0.993	4.4	-	-	-	-	-	-	-	-	-	-	-	-	39	C 2 2 21 vs reference P 1 21 1
36gk	open	pass	I 2 2 2	I 2 2 2	0.09	0.999	2.09	2.28	+8.2%	99.7	13.8	15.7%	7.3%	0.998	11.8	-	-	0.203	0.108	0.950	0.203	0.212	0.223	0.913	2.780	0.024	NOT_TESTED	29
3inp	open	pass	F 41 3 2	F 41 3 2	0.04	1.001	1.70	2.05	+17.0%	99.8	18.8	10.8%	5.5%	0.999	13.2	-	-	0.239	0.069	0.946	0.239	0.240	0.177	1.351	2.940	0.003	NOT_TESTED	33
3ky7	open	pass	P 43 3 2	P 43 3 2	0.03	1.001	1.92	2.35	+18.3%	99.7	25.8	10.7%	5.9%	0.999	12.2	-	-	0.339	0.045	0.898	0.335	0.341	0.255	1.313	0.430	0.002	NOT_TESTED	17
3mc4	open	pass	R 3:H	H 3	0.06	0.998	1.79	1.95	+8.3%	79.7	3.3	10.1%	8.4%	0.994	12.4	-	-	0.253	0.076	0.900	0.257	0.255	0.156	1.650	1.420	-0.333	ACCEPTED	9
3meb	open	pass	P 1 21 1	P 1 21 1	0.71	0.982	1.53	1.90	+19.4%	33.8	2.5	11.9%	8.2%	0.993	14.6	-	-	0.198	0.543	0.952	0.200	0.202	0.214	0.936	0.300	-0.118	ACCEPTED	9
3p85	open	pass	P 63 2 2	P 63 2 2	0.51	1.007	1.62	1.90	+14.7%	86.8	10.8	12.1%	10.2%	0.998	8.1	-	-	0.194	0.116	0.953	0.201	0.201	0.216	0.928	7.780	-0.406	NOT_TESTED	8
3r6o	open	fail	I 41 2 2	I 41	0.57	0.986	1.53	1.95	+21.5%	43.1	7.2	19.5%	17.6%	0.984	4.4	-	-	0.302	0.624	0.808	0.308	0.304	0.185	1.663	1.350	-0.665	NOT_TESTED	5	I 41 2 2 vs reference I 41
4bwl	open	fail	C 2 2 21	P 1 21 1	72.04	1.004	1.68	2.00	+16.0%	99.4	7.0	14.0%	5.7%	0.998	14.4	-	-	0.522	0.135	0.390	0.521	0.526	0.235	2.217	0.110	-0.520	NOT_TESTED	20	C 2 2 21 vs reference P 1 21 1
5cc8	open	fail	P 21 21 21	P 21 21 2	0.06	1.000	1.53	1.75	+12.6%	48.5	3.9	8.0%	6.7%	0.997	11.3	-	-	0.171	0.165	0.959	0.184	0.178	0.194	0.949	4.040	0.036	ACCEPTED	10	P 21 21 21 vs reference P 21 21 2
5ebi	open	fail	C 2 2 21	P 1 21 1	40.33	1.000	0.85	1.09	+21.6%	99.4	6.7	12.3%	7.2%	0.998	10.9	-	-	0.579	0.135	0.338	0.574	0.583	0.169	3.396	-0.090	0.024	REJECTED	21	C 2 2 21 vs reference P 1 21 1
5epe	open	pass	F 2 3	F 2 3	0.00	1.000	1.77	1.90	+7.1%	99.8	15.1	16.5%	8.4%	0.998	9.9	-	-	0.173	0.106	0.951	0.181	0.182	0.167	1.083	11.960	-0.093	ACCEPTED	30
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%	0.998	23.1	-	-	0.152	0.134	0.972	0.165	0.161	0.154	1.068	5.990	-0.061	NOT_TESTED	7
5j23	open	pass	R 3:H	H 3	0.15	0.998	2.18	2.30	+5.2%	99.6	5.2	14.8%	5.9%	0.996	11.6	-	-	0.225	0.133	0.939	0.233	0.235	0.169	1.376	0.790	0.319	ACCEPTED	26
5jk4	open	pass	P 1 21 1	P 1 21 1	0.17	1.002	1.06	1.10	+3.7%	90.7	4.0	8.8%	4.1%	0.786	14.9	-	-	0.106	0.077	0.980	0.120	0.118	0.125	0.960	3.780	0.011	NOT_TESTED	11
5jvn	open	pass	P 6 2 2	P 6 2 2	0.03	0.999	2.23	2.90	+23.0%	98.6	16.7	16.4%	5.3%	0.998	15.7	-	-	0.228	0.139	0.885	0.249	0.249	0.235	1.060	1.360	0.090	NOT_TESTED	29
5ky6	open	pass	P 1 21 1	P 1 21 1	0.64	0.994	1.54	1.94	+20.5%	96.8	3.2	25.6%	10.6%	0.986	6.1	-	-	0.233	0.123	0.937	0.243	0.241	0.223	1.092	0.540	-0.143	NOT_TESTED	26
5lzl	open	pass	P 31 2 1	P 31 2 1	0.30	0.992	2.86	3.47	+17.5%	95.0	8.9	17.1%	4.8%	0.997	15.0	-	-	0.222	0.139	0.878	0.229	0.233	0.250	0.915	1.270	-0.027	ACCEPTED	22
5m17	open	pass	I 4	I 4	0.08	0.998	0.98	1.03	+4.6%	92.6	6.0	5.6%	5.1%	0.996	16.2	-	-	0.132	0.220	0.961	0.158	0.159	0.130	1.217	7.090	-0.034	NOT_TESTED	80
5mln	open	pass	P 21 21 2	P 21 2 21	0.10	0.999	1.26	1.60	+21.4%	99.7	8.1	10.4%	3.5%	0.999	21.5	-	-	0.181	0.144	0.949	0.188	0.197	0.180	1.046	2.190	-0.007	ACCEPTED	17
5nw5	open	pass	P 21 21 21	P 21 21 21	0.19	0.997	7.06	6.50	-8.6%	99.8	6.3	33.2%	16.7%	0.928	7.8	-	-	0.392	0.268	0.803	0.464	0.416	0.277	1.677	0.160	0.029	NOT_TESTED	11
5ojv	open	pass	P 21 21 2	P 21 21 2	0.41	0.993	1.81	2.06	+12.1%	98.6	6.5	14.7%	4.7%	0.998	13.2	-	-	0.174	0.145	0.961	0.185	0.190	0.194	0.958	2.010	0.004	NOT_TESTED	33
5reo	open	pass	C 1 2 1	C 1 2 1	0.78	1.022	1.67	1.88	+11.0%	99.3	3.1	21.9%	7.8%	0.990	26.9	-	-	0.202	0.075	0.959	0.201	0.206	0.227	0.886	0.720	-0.035	NOT_TESTED	8
5src	open	pass	P 41	P 43	0.14	0.998	0.97	1.05	+7.8%	99.0	6.2	5.7%	3.1%	0.999	19.6	-	-	0.161	0.191	0.962	0.183	0.180	0.175	1.043	6.040	0.033	ACCEPTED	34	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	1.02	1.10	+7.7%	92.0	4.2	7.3%	4.4%	0.998	16.1	-	-	0.152	0.103	0.955	0.160	0.157	0.154	1.040	6.270	-0.086	NOT_TESTED	24
5uth	open	pass	P 31 2 1	P 31 2 1	0.21	0.995	1.72	1.95	+11.7%	82.8	8.4	12.4%	7.4%	0.997	9.6	-	-	0.194	0.166	0.952	0.217	0.210	0.202	1.074	2.870	-0.013	ACCEPTED	8
5vml	open	pass	P 42 21 2	P 42 21 2	0.02	1.000	1.92	1.70	-12.7%	81.0	7.4	10.1%	9.7%	0.996	10.9	-	-	0.156	0.050	0.964	0.165	0.158	0.171	0.963	3.440	-0.036	NOT_TESTED	5
6cdl	open	pass	P 21 21 2	P 21 21 2	0.93	1.013	1.13	1.25	+9.8%	71.6	6.6	8.7%	6.9%	0.996	9.8	-	-	0.148	0.124	0.950	0.154	0.153	0.181	0.852	4.350	-0.031	NOT_TESTED	20
6cee	open	pass	P 21 21 21	P 21 21 21	0.06	1.002	1.38	1.55	+10.8%	87.8	6.1	5.5%	3.6%	0.999	23.1	-	-	0.166	0.173	0.952	0.177	0.186	0.169	1.045	9.190	-0.003	NOT_TESTED	7
6cs9	open	pass	P 1 21 1	P 1 21 1	0.06	0.999	1.72	1.85	+7.2%	91.2	3.8	9.8%	4.3%	0.998	13.1	-	-	0.211	0.142	0.902	0.207	0.227	0.227	0.912	0.760	0.011	NOT_TESTED	9
6f3p	open	pass	C 1 2 1	C 1 2 1	0.19	0.995	1.14	1.35	+15.9%	99.4	3.6	10.0%	5.4%	0.997	9.4	-	-	0.143	0.209	0.968	0.168	0.168	0.127	1.323	-3.380	0.014	NOT_TESTED	43
6fid	open	pass	P 21 21 21	P 21 21 21	0.37	1.007	1.98	2.20	+10.1%	72.8	12.7	9.7%	10.4%	0.998	13.5	-	-	0.192	0.056	0.944	0.197	0.198	0.220	0.897	11.330	-0.017	NOT_TESTED	21
6fvz	open	pass	C 2 2 2	C 2 2 2	0.15	0.997	1.49	1.80	+17.5%	99.4	6.7	24.4%	5.1%	0.996	20.8	-	-	0.198	0.093	0.954	0.203	0.206	0.199	1.019	1.320	-0.003	NOT_TESTED	33
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	41
6g1f	open	pass	C 1 2 1	C 1 2 1	0.04	1.000	1.93	2.25	+14.1%	99.5	3.8	11.6%	3.8%	0.997	21.6	-	-	0.207	0.135	0.954	0.223	0.221	0.211	1.058	1.070	0.016	NOT_TESTED	29
6gvk	open	pass	C 1 2 1	C 1 2 1	0.08	0.999	1.42	1.55	+8.5%	99.7	6.7	5.2%	3.3%	0.999	19.9	-	-	0.201	0.179	0.950	0.214	0.212	0.210	1.020	1.880	0.006	NOT_TESTED	20
6h2p_1p89A	open	pass	C 2 2 21	C 2 2 21	0.08	0.999	1.76	-	-	88.1	10.2	8.6%	5.2%	0.999	22.9	-	-	0.143	0.074	0.971	0.149	0.147	0.170	0.873	9.110	0.019	NOT_TESTED	30
6h2p_native	open	pass	C 2 2 21	C 2 2 21	0.02	1.000	1.32	1.48	+10.8%	99.5	6.6	13.6%	3.9%	0.999	20.1	-	-	0.161	0.069	0.973	0.165	0.165	0.170	0.967	3.340	0.044	NOT_TESTED	36
6h5t	open	pass	I 4 2 2	I 4 2 2	0.33	0.993	1.47	1.69	+12.8%	99.4	7.2	14.8%	8.4%	0.996	9.2	-	-	0.197	0.178	0.941	0.223	0.217	0.191	1.167	8.980	-0.023	NOT_TESTED	15
6hv2	open	pass	P 61 2 2	P 61 2 2	0.04	0.999	1.41	1.71	+17.6%	99.8	29.1	19.7%	5.5%	1.000	13.7	-	-	0.220	0.350	0.947	0.241	0.244	0.263	0.916	7.820	-0.006	NOT_TESTED	22
6hwj	open	pass	P 1 21 1	P 1 21 1	0.12	1.002	1.72	1.98	+13.3%	97.5	3.5	8.6%	2.4%	0.999	38.6	-	-	0.187	0.129	0.960	0.192	0.198	0.214	0.894	1.600	0.053	NOT_TESTED	12
6i3j	open	pass	F 2 2 2	F 2 2 2	0.08	0.999	2.32	2.59	+10.5%	98.7	7.2	24.6%	16.4%	0.977	6.8	-	-	0.203	0.171	0.914	0.236	0.234	0.226	1.048	1.730	0.001	NOT_TESTED	34
6iu5	open	pass	P 31	P 31	0.02	1.000	2.12	2.25	+6.0%	99.1	4.8	18.2%	11.4%	0.993	8.0	-	-	0.212	0.079	0.932	0.216	0.222	0.250	0.863	7.650	-0.018	ACCEPTED	20
6iu6	open	pass	P 31	P 31	0.33	0.996	2.36	2.90	+18.5%	97.4	4.2	11.6%	8.1%	0.996	7.2	-	-	0.221	0.170	0.950	0.234	0.239	0.211	1.105	3.530	-0.019	ACCEPTED	19
6iu8	open	pass	P 31	P 31	0.02	1.000	2.32	2.70	+14.2%	99.8	10.2	14.1%	7.5%	0.998	8.1	-	-	0.270	0.166	0.910	0.282	0.282	0.215	1.312	1.220	-0.025	NOT_TESTED	12
6iu9	open	pass	P 31	P 31	0.30	1.008	2.74	3.00	+8.8%	99.6	4.7	14.4%	9.5%	0.992	5.5	-	-	0.311	0.079	0.820	0.321	0.312	0.265	1.210	1.360	0.042	ACCEPTED	19
6jgh	open	pass	P 21 21 21	P 21 21 21	0.39	1.008	0.87	0.94	+7.1%	99.3	7.2	23.3%	10.8%	0.990	6.6	-	-	0.136	0.173	0.964	0.156	0.157	0.129	1.209	2.170	-0.069	NOT_TESTED	30
6jgi	open	pass	P 21 21 21	P 21 21 21	0.20	0.997	0.75	0.85	+12.0%	98.5	7.0	14.3%	8.5%	0.995	8.5	-	-	0.112	0.144	0.975	0.128	0.127	0.112	1.146	6.300	0.069	NOT_TESTED	38
6jgj	open	pass	P 21 21 21	P 21 21 21	0.28	0.992	0.65	0.77	+15.7%	85.0	7.1	7.4%	4.6%	0.999	15.1	-	-	0.164	0.055	0.963	0.167	0.166	0.125	1.332	2.730	0.024	NOT_TESTED	39
6moj	open	pass	I 41 2 2	I 41 2 2	0.08	0.998	2.43	2.43	+0.1%	99.7	26.7	52.4%	8.9%	0.998	8.3	-	-	0.248	0.206	0.917	0.257	0.262	0.250	1.027	1.060	0.028	NOT_TESTED	48
6nen	open	pass	P 3 1 2	P 3 1 2	0.07	0.998	1.79	2.15	+16.9%	99.6	22.1	25.6%	10.3%	0.997	6.2	-	-	0.208	0.112	0.937	0.218	0.215	0.208	1.049	0.370	0.002	ACCEPTED	18
6o2h	open	pass	P 1	P 1	0.74	0.982	1.10	1.21	+9.5%	30.3	1.1	7.0%	8.3%	0.978	24.3	-	-	0.096	0.131	0.934	0.129	0.126	0.117	1.101	0.110	-0.003	ACCEPTED	13
6oel	open	pass	F 41 3 2	F 41 3 2	0.00	1.000	2.83	3.10	+8.8%	99.8	41.1	47.3%	8.1%	0.997	10.7	-	-	0.249	0.186	0.847	0.266	0.265	0.256	1.042	0.630	-0.035	NOT_TESTED	23
6oww	open	fail	P 41 21 2	P 1 21 1	0.19	0.998	2.72	3.84	+29.2%	99.7	41.7	201.5%	14.0%	0.994	11.8	-	-	0.361	0.085	0.866	0.373	0.366	0.340	1.096	2.040	-0.045	ACCEPTED	40	P 41 21 2 vs reference P 1 21 1
6p8j	open	fail	P 21 21 2	P 1 21 1	0.33	0.992	1.28	1.47	+13.2%	99.6	6.6	23.7%	12.0%	0.990	5.4	-	-	0.249	0.094	0.905	0.254	0.255	0.229	1.111	1.290	0.121	ACCEPTED	64	P 21 21 2 vs reference P 1 21 1
6p8p	open	pass	P 4	P 4	0.14	1.003	1.47	1.64	+10.0%	99.7	6.7	12.5%	5.1%	0.998	15.5	-	-	0.187	0.175	0.947	0.205	0.205	0.198	1.036	1.900	-0.017	NOT_TESTED	16
6pb3	open	pass	P 6	P 6	0.19	0.995	1.85	2.05	+9.8%	94.0	10.4	6.5%	3.2%	1.000	22.8	-	-	0.214	0.108	0.956	0.229	0.219	0.252	0.909	10.830	0.045	ACCEPTED	36
6pxb	open	pass	P 31 1 2	P 32	0.23	0.994	1.39	1.75	+20.3%	99.7	10.0	8.8%	4.6%	0.999	12.1	-	-	0.240	0.257	0.959	0.279	0.261	0.263	1.059	0.630	-0.005	NOT_TESTED	14	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	0.996	1.41	1.60	+11.8%	96.1	5.7	8.0%	5.5%	0.998	10.2	-	-	0.210	0.164	0.960	0.214	0.217	0.210	1.022	0.910	0.035	NOT_TESTED	11
6qaj	open	pass	C 2 2 21	C 2 2 21	0.41	0.993	2.70	2.90	+7.0%	99.7	9.2	24.5%	5.1%	0.997	13.2	-	-	0.321	0.224	0.858	0.331	0.331	0.291	1.138	4.450	-0.072	NOT_TESTED	22
6r72	open	pass	P 1 21 1	P 1 21 1	1.32	0.979	4.39	3.95	-11.2%	99.7	7.1	16.6%	3.6%	1.000	18.0	-	-	0.362	0.044	0.586	0.367	0.364	0.321	1.144	0.130	-0.229	NOT_TESTED	21
6rlr	open	pass	P 1	P 1	0.03	1.001	1.95	2.00	+2.5%	97.6	3.6	11.9%	4.0%	0.998	16.3	-	-	0.247	0.085	0.898	0.254	0.254	0.279	0.908	0.720	-0.029	NOT_TESTED	11
6rym	open	pass	P 41	P 43	0.14	1.003	1.45	1.46	+0.5%	79.6	3.9	4.2%	4.0%	0.998	22.6	-	-	0.170	0.239	0.940	0.190	0.182	0.184	1.030	13.730	-0.004	ACCEPTED	19	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	1.75	1.90	+7.7%	95.2	3.8	22.4%	5.6%	0.989	13.7	-	-	0.202	0.092	0.952	0.200	0.210	0.235	0.849	0.630	-0.029	NOT_TESTED	11
6toc	open	pass	P 42 2 2	P 42	0.30	0.991	1.64	1.85	+11.8%	99.8	24.3	9.4%	2.4%	1.000	24.8	-	-	0.276	0.142	0.973	0.268	0.281	0.265	1.012	0.540	0.132	ACCEPTED	9	P 42 2 2 vs reference P 42: accepted alternative P 42 2 2 - a knife-edge this battery does not decide
6ttn	open	pass	P 21 21 21	P 21 21 21	0.06	1.001	1.05	1.12	+6.4%	96.1	11.5	10.2%	4.5%	0.999	14.8	-	-	0.132	0.107	0.975	0.144	0.141	0.146	0.989	8.570	0.070	NOT_TESTED	34
6u7g	open	pass	P 1 21 1	P 1 21 1	0.13	1.003	1.89	2.35	+19.7%	79.3	3.3	8.0%	4.1%	0.998	13.3	-	-	0.198	0.113	0.933	0.200	0.204	0.218	0.916	1.610	-0.100	NOT_TESTED	17
6ukf	open	pass	P 1 21 1	P 1 21 1	0.24	0.994	0.95	1.00	+4.6%	91.3	7.1	10.0%	6.0%	0.998	9.3	-	-	0.165	0.060	0.959	0.161	0.167	0.166	0.967	2.260	0.025	NOT_TESTED	41
6v2r	open	pass	P 41 21 2	P 41 21 2	0.02	0.999	1.38	1.60	+13.6%	92.6	11.3	5.2%	2.9%	1.000	24.5	-	-	0.205	0.215	0.945	0.210	0.231	0.235	0.891	12.920	0.009	NOT_TESTED	7
6vww	open	pass	P 63	P 63	0.06	1.001	1.98	2.20	+10.0%	99.6	5.5	16.7%	8.9%	0.993	8.0	-	-	0.240	0.114	0.925	0.243	0.248	0.178	1.368	0.680	0.010	NOT_TESTED	13
6w4h	open	pass	P 31 2 1	P 31 2 1	0.02	1.000	1.62	1.80	+9.8%	97.7	6.9	7.6%	3.9%	0.999	18.5	-	-	0.163	0.152	0.967	0.168	0.174	0.163	1.033	4.710	-0.013	NOT_TESTED	20
6w75	open	pass	P 31 2 1	P 32 2 1	0.01	1.000	1.69	1.95	+13.5%	99.7	10.5	11.9%	4.7%	0.999	16.0	-	-	0.175	0.162	0.957	0.187	0.187	0.174	1.071	3.630	-0.017	ACCEPTED	31	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	0.04	1.000	1.04	1.42	+26.5%	67.8	3.8	6.2%	3.7%	0.999	16.8	-	-	0.174	0.115	0.959	0.175	0.176	0.173	1.013	2.690	-0.002	NOT_TESTED	43
6yqf	open	pass	P 21 21 2	P 21 21 2	0.71	1.017	3.39	3.33	-1.9%	99.8	5.7	41.7%	11.6%	0.983	4.8	-	-	0.407	0.128	0.693	0.436	0.418	0.367	1.188	0.180	-0.212	NOT_TESTED	17
6z8o	open	pass	P 1 21 1	P 1 21 1	0.63	1.016	2.21	2.20	-0.3%	90.7	3.6	17.4%	5.8%	0.996	14.0	-	-	0.275	0.066	0.905	0.281	0.280	0.275	1.022	1.250	-0.044	NOT_TESTED	12
6z9g	open	fail	P 1 21 1	P 1 21 1	22.48	0.502	1.60	1.76	+9.0%	82.0	4.3	11.5%	4.9%	0.997	14.8	-	-	0.531	0.181	0.144	0.542	0.537	0.240	2.260	0.010	-	NOT_TESTED	22	primitive volume ratio 0.50
6ze4	open	pass	P 21 21 21	P 21 21 21	0.62	0.988	1.30	1.60	+18.5%	96.7	8.1	19.8%	5.8%	0.992	10.3	-	-	0.216	0.091	0.958	0.223	0.222	0.202	1.104	1.730	-0.158	NOT_TESTED	43
6zqr	open	pass	P 4	P 4	0.40	1.010	1.76	1.93	+8.8%	99.7	8.2	19.4%	8.1%	0.995	9.1	-	-	0.197	0.167	0.949	0.204	0.213	0.191	1.065	1.340	-0.095	NOT_TESTED	15
6zqy	open	pass	P 4	P 4	0.11	0.997	1.71	1.85	+7.5%	99.1	7.1	22.7%	5.5%	0.994	12.3	-	-	0.219	0.153	0.946	0.226	0.231	0.196	1.149	1.200	-0.221	ACCEPTED	15
6zr0	open	pass	P 4	P 4	0.08	1.002	1.67	1.94	+13.8%	98.5	3.7	13.3%	4.2%	0.996	23.4	-	-	0.218	0.054	0.960	0.218	0.220	0.210	1.037	1.670	-0.005	NOT_TESTED	24
7arr	open	pass	P 1	P 1	0.28	0.993	0.92	1.10	+16.7%	70.3	3.5	3.7%	3.0%	0.999	18.9	-	-	0.154	0.200	0.964	0.165	0.164	0.161	1.027	0.060	-0.103	ACCEPTED	28
7atg	open	pass	P 21 21 21	P 21 21 21	0.10	1.002	0.60	0.60	+0.5%	86.8	3.8	5.2%	7.2%	0.994	22.9	-	-	0.128	0.213	0.443	0.178	0.177	0.095	1.869	6.630	-0.034	NOT_TESTED	24
7bgt	open	pass	P 1	P 1	0.32	0.991	1.78	1.93	+7.6%	98.0	2.2	13.7%	5.6%	0.993	17.2	-	-	0.195	0.118	0.955	0.207	0.206	0.212	0.977	0.240	-0.001	NOT_TESTED	9
7bgu	open	pass	P 1	P 1	0.17	0.996	2.30	2.43	+5.6%	94.7	2.9	12.6%	4.6%	0.938	10.0	-	-	0.285	0.127	0.800	0.303	0.305	0.236	1.281	0.280	-0.247	NOT_TESTED	7
7brr	open	pass	P 1 21 1	P 1 21 1	0.09	0.998	1.25	1.35	+7.4%	97.2	6.3	6.7%	3.8%	0.999	16.4	-	-	0.192	0.095	0.962	0.191	0.195	0.197	0.966	3.090	-0.043	NOT_TESTED	14
7dkp	open	pass	P 1 21 1	P 1 21 1	0.03	1.001	1.18	1.45	+18.3%	66.4	7.3	11.9%	4.6%	0.998	26.0	-	-	0.158	0.081	0.969	0.161	0.163	0.160	1.001	2.840	0.021	NOT_TESTED	23
7k1l	open	unscored	P 6	P 63	0.27	0.995	1.91	2.25	+15.1%	98.9	6.5	16.1%	8.3%	0.994	10.0	-	-	0.261	0.099	0.909	0.268	0.268	0.192	1.402	0.780	0.093	NOT_TESTED	17	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	0.07	1.000	1.39	1.46	+4.7%	92.8	20.7	7.8%	7.4%	0.999	11.8	-	-	0.172	0.155	0.961	0.189	0.190	0.182	1.041	8.450	-0.021	NOT_TESTED	28
7l6j	open	pass	I 41 3 2	I 41 3 2	0.00	1.000	1.51	1.78	+15.2%	99.7	29.0	20.9%	7.5%	0.999	10.5	-	-	0.172	0.179	0.963	0.187	0.188	0.154	1.212	29.120	-0.001	NOT_TESTED	36
7l84	open	pass	P 41 21 2	P 43 21 2	0.06	0.999	1.70	1.70	+0.0%	91.6	33.5	9.1%	13.0%	0.999	11.5	-	-	0.150	0.090	0.911	0.169	0.163	0.162	1.040	17.590	-0.008	ACCEPTED	15	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	0.56	0.998	3.15	4.07	+22.5%	99.7	10.6	356.5%	36.7%	0.966	3.1	-	-	0.414	0.096	0.506	0.419	0.418	0.372	1.124	0.060	-0.020	ACCEPTED	30	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	0.38	0.991	1.64	2.20	+25.3%	99.7	6.6	13.8%	5.5%	0.998	10.6	-	-	0.267	0.272	0.919	0.292	0.292	0.271	1.077	0.590	0.056	NOT_TESTED	22
7n2s	open	pass	P 1 21 1	P 1 21 1	0.07	1.000	2.56	2.37	-7.9%	97.5	3.4	56.5%	8.6%	0.918	9.9	-	-	0.299	0.116	0.825	0.309	0.309	0.311	0.993	0.300	-0.017	NOT_TESTED	10
7orr	open	pass	I 2 3	I 21 3	0.03	0.999	1.62	1.79	+9.2%	99.6	15.8	6.8%	4.0%	1.000	26.3	-	-	0.183	0.162	0.965	0.196	0.194	0.184	1.062	5.060	0.056	NOT_TESTED	15	I 2 3 vs reference I 21 3 (UNDECIDABLE from intensities)
7os3	open	pass	P 21 21 21	P 21 21 21	0.11	1.003	1.96	2.18	+10.1%	83.6	11.4	8.4%	3.8%	0.999	24.3	-	-	0.181	0.158	0.955	0.194	0.194	0.224	0.867	6.130	-0.053	NOT_TESTED	24
7ou1	open	pass	P 1 21 1	P 1 21 1	0.04	1.000	1.40	1.65	+14.9%	88.1	3.4	15.9%	7.7%	0.991	9.1	-	-	0.202	0.098	0.955	0.209	0.210	0.222	0.943	1.510	0.086	NOT_TESTED	17
7ph1	open	pass	I 2 2 2	I 2 2 2	0.12	0.998	1.08	1.18	+8.1%	99.7	7.1	11.3%	5.4%	0.998	16.0	-	-	0.155	0.159	0.968	0.174	0.172	0.166	1.051	3.200	0.050	NOT_TESTED	65
7pq7	open	pass	C 1 2 1	C 1 2 1	0.22	0.993	1.37	1.55	+11.4%	98.1	3.7	6.4%	4.3%	0.998	14.1	-	-	0.188	0.192	0.947	0.215	0.209	0.200	1.072	2.380	0.041	NOT_TESTED	11
7q6j	open	pass	P 21 21 21	P 21 21 21	0.25	0.998	2.00	2.20	+9.1%	99.7	7.3	14.4%	5.3%	0.996	11.0	-	-	0.224	0.137	0.945	0.235	0.240	0.236	0.998	1.670	-0.019	NOT_TESTED	22
7qij	open	pass	P 21 21 21	P 21 21 21	0.36	0.993	3.59	4.10	+12.4%	99.7	6.8	24.1%	5.6%	0.996	9.4	-	-	0.357	0.065	0.831	0.364	0.362	0.325	1.121	0.200	0.062	NOT_TESTED	79
7qis	open	pass	P 61	P 61	0.44	0.987	1.80	1.83	+1.4%	99.6	9.0	20.7%	6.3%	0.997	16.6	-	-	0.165	0.189	0.963	0.190	0.189	0.189	1.008	1.320	0.024	ACCEPTED	35
7raa	open	pass	P 41 21 2	P 43 21 2	0.04	0.999	2.58	2.69	+3.9%	98.8	35.2	17.0%	5.5%	1.000	11.1	-	-	0.296	0.260	0.902	0.337	0.306	0.294	1.147	0.530	-0.036	ACCEPTED	22	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	0.09	1.000	1.51	1.72	+12.4%	95.8	17.8	10.1%	3.3%	1.000	30.8	-	-	0.189	0.038	0.961	0.190	0.190	0.201	0.944	2.210	-0.005	ACCEPTED	20	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	0.29	1.008	1.49	1.71	+12.9%	99.3	29.1	13.1%	8.3%	0.999	8.4	-	-	0.205	0.125	0.946	0.198	0.213	0.224	0.884	6.890	0.087	NOT_TESTED	19
7t5t	open	pass	P 42 21 2	P 42 21 2	0.05	0.999	1.24	1.35	+8.1%	98.5	12.6	6.5%	4.4%	0.999	16.5	-	-	0.163	0.247	0.960	0.192	0.188	0.168	1.145	11.240	0.025	NOT_TESTED	21
7tcd	open	pass	C 1 2 1	C 1 2 1	0.23	1.005	1.66	1.70	+2.5%	69.8	7.1	8.6%	4.3%	0.999	18.4	-	-	0.191	0.203	0.956	0.212	0.209	0.252	0.839	1.190	-0.059	NOT_TESTED	20
7yzx	open	pass	P 63 2 2	P 63 2 2	0.24	0.994	1.88	1.90	+1.1%	99.7	14.1	20.3%	6.1%	0.998	10.5	-	-	0.211	0.102	0.951	0.214	0.215	0.229	0.936	1.370	0.016	NOT_TESTED	41
8a1a	open	pass	P 61	P 65	0.16	0.995	1.89	2.05	+7.6%	99.7	41.8	51.6%	8.1%	0.997	20.5	-	-	0.178	0.027	0.970	0.180	0.179	0.185	0.973	1.760	0.003	ACCEPTED	67	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	0.30	0.991	0.97	1.09	+11.6%	95.6	6.0	9.2%	4.3%	0.999	14.0	-	-	0.181	0.214	0.945	0.204	0.203	0.149	1.374	6.360	-0.021	NOT_TESTED	23
8c3e	open	fail	P 6 2 2	P 31 2 1	0.24	0.994	1.78	2.10	+15.3%	98.0	6.9	29.2%	12.4%	0.979	5.6	-	-	0.359	0.221	0.749	0.391	0.381	0.249	1.572	1.460	-0.059	ACCEPTED	3	P 6 2 2 vs reference P 31 2 1
8dqb	open	pass	I 2 3	I 2 3	0.06	0.998	2.05	2.50	+18.1%	97.6	10.3	14.2%	4.4%	0.996	22.2	-	-	0.230	0.111	0.939	0.236	0.243	0.239	0.990	3.110	0.006	NOT_TESTED	11
8dyz	open	pass	P 41 21 2	P 43 21 2	0.09	0.999	1.14	1.27	+10.4%	64.2	3.8	3.1%	2.4%	0.999	37.2	-	-	0.120	0.044	0.973	0.121	0.122	0.133	0.908	4.230	-0.050	ACCEPTED	11	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	3.1%	2.8%	0.999	35.1	-	-	0.118	0.067	0.968	0.128	0.122	0.136	0.942	5.120	-0.008	NOT_TESTED	9
8egn	open	pass	P 21 21 21	P 21 21 21	0.09	1.002	1.63	1.95	+16.6%	91.2	5.4	6.3%	3.3%	0.999	22.9	-	-	0.197	0.151	0.953	0.214	0.205	0.219	0.978	2.530	0.015	NOT_TESTED	12
8iya	open	pass	C 1 2 1	C 1 2 1	0.16	0.996	1.91	2.43	+21.2%	97.9	5.5	21.4%	11.4%	0.989	5.9	-	-	0.247	0.033	0.946	0.235	0.249	0.247	0.949	0.380	0.015	NOT_TESTED	7
8k1g	open	pass	I 4 2 2	I 4 2 2	0.82	1.019	1.63	2.09	+22.1%	99.7	20.5	25.5%	6.8%	0.999	11.7	-	-	0.206	0.201	0.956	0.227	0.226	0.207	1.093	2.250	-0.107	NOT_TESTED	29
8oic	open	pass	P 1	P 1	0.02	1.000	2.31	2.80	+17.4%	98.2	3.6	25.2%	4.7%	0.988	19.9	-	-	0.239	0.123	0.934	0.249	0.248	0.251	0.994	0.410	0.057	NOT_TESTED	26
8owm	open	pass	P 1	P 1	0.02	1.000	1.48	1.70	+13.1%	96.3	3.6	10.2%	3.4%	0.998	22.2	-	-	0.163	0.131	0.971	0.178	0.177	0.172	1.035	1.370	0.045	NOT_TESTED	53
8pqd	open	pass	P 21 21 21	P 21 21 21	0.07	1.002	1.31	1.50	+12.7%	94.8	13.5	9.1%	5.5%	0.999	15.0	-	-	0.184	0.234	0.961	0.206	0.202	0.194	1.063	3.570	0.021	NOT_TESTED	50
8qaw	open	pass	R 3:H	H 3	0.04	0.999	1.30	1.55	+16.3%	99.4	9.9	12.2%	7.6%	0.998	11.0	-	-	0.143	0.164	0.958	0.154	0.157	0.161	0.952	11.400	0.021	NOT_TESTED	132
8qj5	open	pass	P 1 21 1	P 1 21 1	0.44	0.987	1.32	1.63	+19.2%	99.3	6.2	17.4%	7.7%	0.996	8.5	-	-	0.189	0.130	0.946	0.204	0.201	0.190	1.070	1.590	0.030	NOT_TESTED	16
8qq7	open	pass	P 62 2 2	P 64 2 2	0.61	1.018	3.16	3.62	+12.6%	99.5	25.0	19.2%	11.0%	0.998	6.3	-	-	0.431	0.371	0.328	0.431	0.435	0.320	1.347	0.640	-0.108	ACCEPTED	11	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	0.11	0.998	2.89	3.08	+6.2%	99.7	10.1	27.8%	4.9%	0.997	15.1	-	-	0.274	0.133	0.878	0.289	0.280	0.252	1.146	0.140	-0.133	NOT_TESTED	20
8rud	open	pass	P 1 21 1	P 1 21 1	0.40	0.989	1.64	2.10	+21.9%	99.7	6.6	32.6%	6.3%	0.992	12.4	-	-	0.246	0.087	0.921	0.255	0.252	0.262	0.974	0.700	0.053	NOT_TESTED	45
8s38	open	pass	I 2 2 2	I 21 21 21	0.16	0.996	1.63	1.89	+13.5%	99.6	6.7	8.8%	3.5%	0.999	22.4	-	-	0.180	0.141	0.962	0.186	0.188	0.187	0.991	2.310	0.030	NOT_TESTED	38	I 2 2 2 vs reference I 21 21 21 (UNDECIDABLE from intensities)
8sa8	open	pass	I 1 2 1	I 1 2 1	0.02	1.000	1.10	1.30	+15.0%	85.7	7.2	11.7%	3.7%	0.999	22.0	-	-	0.155	0.143	0.972	0.169	0.169	0.152	1.109	3.790	0.051	ACCEPTED	77
8sqo	open	pass	P 4 3 2	P 4 3 2	0.13	0.996	1.32	1.55	+14.8%	99.7	70.3	23.5%	6.1%	1.000	14.2	-	-	0.183	0.181	0.957	0.206	0.199	0.177	1.160	7.000	0.032	NOT_TESTED	22
8sqq	open	pass	F 4 3 2	F 4 3 2	0.17	0.995	1.90	2.25	+15.5%	99.8	39.2	25.1%	5.4%	0.999	17.6	-	-	0.211	0.105	0.963	0.206	0.217	0.245	0.840	3.090	0.018	NOT_TESTED	49
8sqt	open	pass	F 4 3 2	F 4 3 2	0.10	0.997	1.86	2.20	+15.3%	99.7	39.0	19.3%	4.6%	1.000	17.9	-	-	0.217	0.144	0.967	0.217	0.227	0.262	0.829	3.150	0.018	NOT_TESTED	50
8t7r	open	pass	C 1 2 1	C 1 2 1	0.28	0.991	3.23	3.84	+15.8%	99.1	4.0	31.3%	8.3%	0.984	7.8	-	-	0.284	0.077	0.755	0.285	0.290	0.263	1.088	0.430	0.053	NOT_TESTED	51
8tha	open	pass	P 62	P 64	0.17	0.995	1.32	1.68	+21.2%	99.1	19.0	16.6%	3.2%	0.999	27.6	-	-	0.212	0.090	0.962	0.221	0.217	0.215	1.028	4.460	0.044	ACCEPTED	16	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	0.06	1.002	1.28	1.68	+23.6%	98.0	38.5	16.5%	5.2%	0.999	16.3	-	-	0.160	0.152	0.970	0.180	0.176	0.163	1.104	13.550	0.002	NOT_TESTED	126
8u0i	open	pass	P 41 21 2	P 43 21 2	0.08	1.001	1.38	1.54	+10.6%	98.1	11.0	8.1%	3.5%	0.999	17.0	-	-	0.180	0.049	0.964	0.183	0.182	0.210	0.873	3.310	0.025	ACCEPTED	16	P 41 21 2 vs reference P 43 21 2 (hand only (needs anomalous)); labelled P 43 21 2 from the model
8v2t	open	pass	P 42 21 2	P 42 21 2	0.35	1.008	1.19	1.40	+15.4%	93.8	9.8	9.1%	5.1%	0.999	11.9	-	-	0.166	0.202	0.968	0.182	0.180	0.163	1.115	10.660	0.013	NOT_TESTED	13
8v4j	open	pass	P 42 21 2	P 42 21 2	0.09	0.998	1.10	1.31	+16.0%	89.7	11.4	5.5%	3.1%	1.000	21.9	-	-	0.170	0.109	0.965	0.176	0.176	0.172	1.023	12.410	0.008	NOT_TESTED	21
8v4o	open	pass	P 61 2 2	P 61 2 2	0.44	0.987	2.11	2.70	+21.7%	99.7	20.3	31.7%	6.0%	0.998	14.8	-	-	0.235	0.162	0.934	0.254	0.254	0.240	1.058	0.840	0.046	NOT_TESTED	43
8xbp	open	pass	C 1 2 1	C 1 2 1	0.15	0.999	1.66	1.99	+16.5%	81.4	6.6	11.1%	4.1%	0.999	18.6	-	-	0.313	0.183	0.892	0.329	0.321	0.288	1.142	1.220	0.243	NOT_TESTED	15
8xte	open	pass	P 31 2 1	P 32	0.02	0.999	1.64	1.99	+17.8%	99.5	9.4	24.8%	7.6%	0.996	13.0	-	-	0.274	0.128	0.913	0.287	0.284	0.219	1.308	0.920	0.041	ACCEPTED	65	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	+13.7%	99.6	20.9	86.8%	18.3%	0.988	7.7	-	-	0.192	0.047	0.964	0.187	0.194	0.210	0.890	1.390	-0.011	NOT_TESTED	23
8xtg	open	pass	P 31 2 1	P 32	0.05	1.002	1.54	2.00	+22.8%	99.7	9.9	27.4%	10.7%	0.994	7.3	-	-	0.274	0.137	0.903	0.284	0.284	0.211	1.347	0.900	0.036	ACCEPTED	43	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	0.34	0.992	1.68	1.90	+11.4%	97.7	6.2	12.9%	7.8%	0.997	8.7	-	-	0.214	0.105	0.939	0.224	0.220	0.240	0.934	1.210	-0.033	NOT_TESTED	9
8ys9	open	pass	P 21 21 21	P 21 21 21	0.16	0.998	1.31	1.46	+10.5%	99.7	13.4	13.3%	4.6%	0.999	15.3	-	-	0.176	0.104	0.962	0.188	0.182	0.197	0.955	3.090	0.096	NOT_TESTED	25
9b22	open	pass	P 1 21 1	P 1 21 1	0.07	1.002	1.14	1.30	+12.1%	77.1	6.1	6.2%	3.5%	0.999	16.4	-	-	0.159	0.118	0.968	0.166	0.164	0.164	1.014	0.140	-0.043	NOT_TESTED	13
9bn8	open	pass	P 41	P 41	0.09	0.997	1.21	1.35	+10.7%	95.3	11.6	8.1%	3.8%	1.000	19.8	-	-	0.151	0.107	0.967	0.159	0.157	0.158	1.011	3.780	0.019	ACCEPTED	21
9c18	open	pass	P 1	P 1	0.61	0.985	1.72	1.90	+9.7%	97.4	3.6	26.9%	8.4%	0.987	10.9	-	-	0.220	0.071	0.947	0.221	0.224	0.229	0.963	0.670	0.019	ACCEPTED	8
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	21.5	-	-	0.180	0.133	0.962	0.184	0.185	0.210	0.877	1.780	-0.008	NOT_TESTED	22
9crw	open	pass	P 1 21 1	P 1 21 1	0.23	0.994	2.28	2.49	+8.4%	97.3	7.0	8.6%	3.7%	0.999	15.8	-	-	0.247	0.119	0.954	0.265	0.260	0.278	0.954	0.700	-0.015	NOT_TESTED	12
9e2t	open	pass	P 1	P 1	0.06	1.001	2.29	2.28	-0.6%	91.6	5.7	28.5%	7.2%	0.992	6.9	-	-	0.229	0.055	0.938	0.232	0.233	0.242	0.956	0.420	-0.019	NOT_TESTED	52
9ea5	open	pass	P 1 21 1	P 1 21 1	0.85	0.998	1.64	2.00	+17.9%	90.9	6.7	17.9%	4.2%	0.997	26.8	-	-	0.196	0.111	0.954	0.202	0.204	0.207	0.976	1.200	0.040	ACCEPTED	27
9fcf	open	pass	P 4	P 4	0.04	1.001	1.76	2.36	+25.6%	99.6	12.2	31.6%	9.4%	0.995	7.2	-	-	0.290	0.061	0.924	0.294	0.293	0.257	1.145	0.900	0.021	ACCEPTED	44
9fcg	open	pass	P 4	P 4	0.10	1.001	1.39	1.54	+10.0%	90.1	11.3	14.0%	8.3%	0.996	9.7	-	-	0.180	0.116	0.955	0.189	0.191	0.198	0.954	2.410	0.062	ACCEPTED	38
9fhc	open	pass	I 2 3	I 2 3	0.25	0.993	1.92	2.20	+12.9%	95.2	18.4	16.9%	4.7%	0.998	12.3	-	-	0.239	0.072	0.917	0.244	0.244	0.238	1.024	1.220	-0.024	ACCEPTED	49
9gdj	open	pass	P 41 21 2	P 41 21 2	0.15	0.996	1.39	1.47	+5.2%	99.7	13.1	11.2%	6.1%	0.999	12.7	-	-	0.154	0.205	0.968	0.173	0.177	0.175	0.987	2.900	-0.014	NOT_TESTED	88
9gjx	open	pass	P 1 21 1	P 1 21 1	0.13	0.997	2.06	2.40	+14.2%	96.2	6.7	16.4%	3.1%	0.997	40.4	-	-	0.193	0.145	0.952	0.224	0.216	0.219	1.020	0.830	-0.018	NOT_TESTED	21
9gqg	open	pass	P 31 2 1	P 32 2 1	0.01	1.000	1.83	2.00	+8.7%	99.7	7.9	11.9%	5.9%	0.998	12.9	-	-	0.233	0.148	0.910	0.246	0.247	0.261	0.941	1.530	0.070	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	0.41	0.990	2.10	2.55	+17.6%	99.7	10.6	17.4%	4.5%	0.998	18.6	-	-	0.205	0.111	0.945	0.214	0.219	0.222	0.966	1.100	-0.016	NOT_TESTED	31
9hnc	open	fail	P 1 21 1	P 1 2 1	0.09	0.999	1.63	1.88	+13.1%	90.8	7.0	12.8%	5.3%	0.998	13.6	-	-	0.246	0.149	0.948	0.255	0.254	0.211	1.208	0.880	-0.237	ACCEPTED	62	P 1 21 1 vs reference P 1 2 1
9hs7	open	pass	P 61	P 65	0.07	1.000	1.68	1.70	+1.4%	99.7	10.2	10.9%	4.3%	0.999	13.8	-	-	0.212	0.360	0.966	0.240	0.233	0.239	1.006	1.360	-0.073	ACCEPTED	18	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	0.45	1.009	1.80	2.22	+18.8%	98.9	12.7	19.5%	5.6%	0.999	12.2	-	-	0.225	0.095	0.957	0.233	0.234	0.237	0.983	1.070	0.140	NOT_TESTED	45
9i80	open	pass	P 41	P 41	0.07	1.002	1.59	1.95	+18.2%	99.7	13.0	25.2%	10.7%	0.992	6.8	-	-	0.220	0.117	0.906	0.222	0.225	0.203	1.094	1.870	0.003	NOT_TESTED	36
9ig7	open	pass	P 21 21 2	P 21 21 2	0.18	0.996	2.02	2.60	+22.4%	99.7	13.7	21.5%	7.4%	0.991	11.0	-	-	0.231	0.081	0.931	0.246	0.237	0.259	0.952	0.820	0.014	NOT_TESTED	66
9ih9	open	pass	C 1 2 1	C 1 2 1	0.20	1.004	1.42	1.70	+16.4%	96.2	2.4	10.9%	5.0%	0.997	12.9	-	-	0.195	0.091	0.958	0.204	0.201	0.203	1.005	1.010	-0.018	NOT_TESTED	15
9jq9	open	pass	P 21 21 21	P 21 21 21	0.15	0.997	1.65	1.90	+13.2%	84.9	10.2	6.9%	4.3%	0.999	19.3	-	-	0.212	0.150	0.937	0.242	0.223	0.237	1.021	4.880	-0.010	NOT_TESTED	5
9jzo	open	pass	P 1	P 1	0.22	0.996	1.15	1.40	+18.0%	61.1	3.3	5.7%	4.4%	0.997	8.2	-	-	0.179	0.046	0.960	0.176	0.180	0.195	0.905	4.440	0.018	NOT_TESTED	8
9khr	open	pass	P 21 21 21	P 21 21 21	0.12	0.997	1.38	2.00	+30.9%	97.0	6.5	18.8%	11.3%	0.994	9.5	-	-	0.244	0.116	0.942	0.259	0.254	0.235	1.103	1.970	0.042	NOT_TESTED	12
9lxl	open	pass	P 41 21 2	P 41 21 2	0.49	1.013	2.06	2.19	+6.1%	99.7	14.7	41.9%	10.3%	0.996	6.2	-	-	0.306	0.095	0.896	0.321	0.304	0.234	1.371	0.690	-0.270	NOT_TESTED	19
9mh4	open	pass	P 21 3	P 21 3	0.31	0.991	2.78	3.05	+9.0%	99.8	40.5	20.3%	4.9%	1.000	13.8	-	-	0.229	0.154	0.922	0.232	0.237	0.215	1.080	1.000	0.006	NOT_TESTED	15
9min	open	fail	P 21 21 2	P 21 21 21	36.97	0.494	1.86	2.05	+9.3%	99.6	23.4	26.5%	6.8%	0.999	10.5	-	-	0.566	0.206	0.221	0.577	0.578	0.267	2.159	0.000	-	NOT_TESTED	52	primitive volume ratio 0.49
9o0h	open	pass	P 21 21 21	P 21 21 21	0.11	1.002	2.04	2.24	+9.1%	99.7	12.7	64.3%	13.0%	0.983	5.8	-	-	0.241	0.087	0.945	0.253	0.247	0.249	1.015	0.120	0.022	NOT_TESTED	44
9p7q	open	pass	C 1 2 1	C 1 2 1	0.14	1.003	1.76	2.21	+20.2%	88.1	2.6	23.7%	8.7%	0.986	11.0	-	-	0.270	0.035	0.949	0.283	0.271	0.259	1.092	0.860	-0.038	NOT_TESTED	11
9pbb	open	pass	C 1 2 1	C 1 2 1	0.15	0.997	1.80	2.17	+17.0%	78.8	2.5	22.9%	6.9%	0.994	16.2	-	-	0.234	0.029	0.973	0.234	0.235	0.223	1.048	0.380	-0.101	NOT_TESTED	15
9q41	open	pass	C 2 2 21	C 2 2 21	0.20	1.004	1.68	1.95	+14.1%	99.7	6.9	29.0%	12.9%	0.985	7.9	-	-	0.188	0.099	0.959	0.194	0.195	0.213	0.908	0.470	0.059	NOT_TESTED	18
9q66	open	pass	P 1 21 1	P 1 21 1	0.34	0.990	2.02	2.01	-0.7%	99.7	7.1	32.2%	8.2%	0.990	13.1	-	-	0.204	0.084	0.903	0.216	0.216	0.266	0.814	0.660	-0.021	NOT_TESTED	22
9qvv	open	pass	I 2 2 2	I 2 2 2	0.42	0.989	2.49	2.72	+8.4%	88.1	13.8	11.1%	2.3%	1.000	37.5	-	-	0.236	0.182	0.919	0.241	0.246	0.279	0.862	1.670	-0.031	NOT_TESTED	17
9qw2	open	pass	P 1 21 1	P 1 21 1	0.77	1.012	1.74	1.92	+9.3%	99.6	3.4	18.8%	6.6%	0.959	7.8	-	-	0.242	0.040	0.936	0.246	0.244	0.212	1.161	0.600	-0.357	NOT_TESTED	21
9qw8	open	pass	P 1	P 1	0.46	1.000	1.70	1.80	+5.5%	97.0	2.9	19.8%	7.2%	0.990	9.6	-	-	0.294	0.152	0.890	0.312	0.302	0.243	1.285	0.280	-0.326	NOT_TESTED	30
9rci	open	pass	P 1	P 1	0.18	1.003	1.65	1.66	+1.0%	96.9	3.6	19.3%	8.2%	0.990	8.3	-	-	0.247	0.131	0.885	0.253	0.258	0.283	0.894	0.550	-0.025	NOT_TESTED	21
9rcs	open	pass	P 1 21 1	P 1 21 1	0.93	1.022	3.27	3.01	-8.6%	99.7	7.0	23.1%	9.8%	0.994	7.3	-	-	0.317	0.124	0.503	0.340	0.324	0.317	1.073	0.350	-0.183	ACCEPTED	14
9rp9	open	pass	C 1 2 1	C 1 2 1	0.16	0.996	1.90	2.10	+9.5%	99.5	5.9	15.8%	4.7%	0.998	31.8	-	-	0.205	0.150	0.930	0.236	0.229	0.222	1.066	2.410	0.059	NOT_TESTED	19
9s02	open	pass	P 21 21 2	P 21 21 2	0.06	0.999	1.42	1.65	+13.8%	98.7	12.4	10.3%	3.3%	0.999	26.0	-	-	0.180	0.103	0.961	0.188	0.188	0.193	0.974	2.250	0.037	ACCEPTED	43
9sl0	open	pass	P 21 21 21	P 21 21 21	0.35	0.991	1.36	1.60	+14.8%	99.4	12.3	8.0%	3.7%	1.000	20.2	-	-	0.245	0.157	0.912	0.255	0.256	0.264	0.968	2.210	-0.000	NOT_TESTED	31
9t6s	open	pass	P 21 21 21	P 21 21 21	0.06	1.000	1.75	2.00	+12.6%	95.8	5.1	11.0%	3.6%	0.999	29.3	-	-	0.215	0.032	0.970	0.231	0.216	0.241	0.956	2.490	0.094	NOT_TESTED	12
9upt	open	pass	P 6	P 6	0.20	0.994	2.03	2.37	+14.2%	99.6	5.9	25.0%	11.3%	0.989	6.4	-	-	0.219	0.082	0.926	0.218	0.225	0.215	1.015	1.230	-0.045	NOT_TESTED	19
9vyb	open	pass	P 21 21 21	P 21 21 21	0.39	0.989	1.67	2.12	+21.3%	86.8	10.0	8.2%	3.6%	0.999	22.0	-	-	0.246	0.083	0.934	0.253	0.249	0.269	0.937	0.440	0.012	NOT_TESTED	31
9w3y	open	pass	P 21 21 21	P 21 21 21	0.24	1.004	1.21	1.50	+19.7%	99.7	6.7	24.2%	5.2%	0.997	19.6	-	-	0.187	0.090	0.973	0.197	0.196	0.198	0.997	4.890	0.044	NOT_TESTED	9
9yl4	open	pass	P 21 21 21	P 21 21 21	0.08	1.001	3.61	3.70	+2.4%	99.7	13.4	31.7%	9.4%	0.996	9.5	-	-	0.293	0.066	0.942	0.303	0.297	0.283	1.071	5.750	-0.022	NOT_TESTED	21
9yzk	open	pass	I 1 2 1	I 1 2 1	0.20	0.996	3.86	5.10	+24.3%	98.5	3.3	30.9%	6.1%	0.996	7.1	-	-	0.357	0.377	0.871	0.420	0.421	0.304	1.381	0.210	0.041	ACCEPTED	10
9z44	open	pass	I 1 2 1	I 1 2 1	1.43	1.040	6.84	7.20	+5.0%	98.3	3.1	22.4%	10.4%	0.975	9.8	-	-	0.335	0.168	0.803	0.324	0.343	0.345	0.939	-0.050	0.076	ACCEPTED	28
9z72	open	pass	P 31 2 1	P 31 2 1	0.15	1.004	1.93	2.38	+18.7%	99.7	9.9	92.2%	11.5%	0.990	14.7	-	-	0.244	0.065	0.906	0.260	0.248	0.269	0.964	0.740	0.032	NOT_TESTED	46
9zlo	open	pass	P 21 21 21	P 21 21 21	0.39	0.995	1.56	2.00	+21.8%	99.7	12.7	12.1%	3.9%	0.999	24.0	-	-	0.224	0.064	0.942	0.231	0.228	0.219	1.053	1.840	-0.028	NOT_TESTED	18
9zm0	open	pass	P 1 21 1	P 1 21 1	0.54	0.986	1.78	2.10	+15.4%	99.7	6.5	25.2%	9.8%	0.996	9.0	-	-	0.256	0.089	0.956	0.274	0.259	0.298	0.921	4.610	-0.024	NOT_TESTED	7
9zmu	open	pass	P 61 2 2	P 65 2 2	0.07	1.002	1.71	1.98	+13.4%	99.7	31.0	31.4%	7.3%	0.999	11.1	-	-	0.276	0.162	0.894	0.283	0.288	0.294	0.964	1.280	0.014	ACCEPTED	25	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	2.7%	2.1%	1.000	45.2	-	-	-	-	-	-	-	-	-	-	-	-	10	no reference to score against
cytidine	open	pass	P 21 21 21	P 21 21 21	0.31	0.995	0.58	-	-	91.1	3.6	10.3%	9.7%	0.993	8.7	-	-	-	-	-	-	-	-	-	-	-	-	10
dnba	open	pass	C 1 2/c 1	C 1 2/c 1	0.06	0.999	0.81	0.48	-68.3%	75.8	2.8	2.5%	1.9%	1.000	35.9	-	-	-	-	-	-	-	-	-	-	-	-	5
lalanine	open	pass	P 21 21 21	P 21 21 21	0.07	0.998	0.65	-	-	77.4	2.6	2.5%	1.5%	1.000	40.7	-	-	-	-	-	-	-	-	-	-	-	-	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	31.1	-	-	-	-	-	-	-	-	-	-	-	-	3
nidppe	open	pass	P 1 21/c 1	P 1 21/c 1	0.28	0.997	0.51	0.77	+34.3%	66.6	5.3	7.9%	4.0%	0.999	32.9	-	-	-	-	-	-	-	-	-	-	-	-	4
aspirin_x10sa_20keV	inhouse	pass	P 1 21/c 1	P 1 21/c 1	0.05	1.001	0.66	0.68	+2.6%	79.6	5.9	3.0%	2.2%	1.000	36.4	27.4	-	-	-	-	-	-	-	-	-	-	-	7
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%	79.1	6.0	3.1%	2.1%	1.000	36.7	29.2	-	-	-	-	-	-	-	-	-	-	-	8
citricacid_x10sa_20keV	inhouse	pass	P 1 21/c 1	P 1 21/c 1	0.10	1.001	0.67	0.68	+1.8%	79.2	5.8	3.5%	3.7%	0.999	24.1	20.4	-	-	-	-	-	-	-	-	-	-	-	8
cytc_x06da_1	inhouse	pass	P 31 2 1	P 31 2 1	0.04	0.999	1.70	1.88	+9.2%	98.7	18.0	9.3%	3.9%	1.000	17.5	24.5	-	0.265	0.272	0.927	0.335	0.293	0.296	1.132	5.390	-	ACCEPTED	11	labelled P 32 2 1 from the model
cytc_x06da_2	inhouse	pass	P 31 2 1	P 31 2 1	0.11	1.002	1.57	1.69	+7.2%	99.6	17.4	9.8%	3.5%	1.000	21.2	27.0	-	0.253	0.228	0.924	0.307	0.279	0.286	1.071	6.330	-	ACCEPTED	12	labelled P 32 2 1 from the model
cytc_x10sa	inhouse	pass	P 31 2 1	P 31 2 1	0.13	1.003	1.95	2.27	+14.0%	99.6	20.1	20.1%	4.0%	0.999	26.6	31.8	-	0.262	0.268	0.938	0.356	0.287	0.340	1.048	2.710	-	ACCEPTED	19	labelled P 32 2 1 from the model
hepes_x10sa_20keV	inhouse	pass	P b c a	P b c a	0.07	0.999	0.66	0.68	+2.6%	86.8	10.3	2.6%	3.5%	0.999	38.7	28.5	-	-	-	-	-	-	-	-	-	-	-	10
insu_H_x06da_notwin	inhouse	pass	R 3:H	R 3	0.06	0.999	1.42	1.54	+8.4%	91.2	8.6	6.2%	4.2%	0.999	20.5	17.7	-	0.229	0.111	0.934	0.215	0.233	0.229	0.941	6.010	-	ACCEPTED	8
insu_H_x06da_twin	inhouse	pass	R 3:H	R 3	0.04	1.001	1.38	1.46	+5.2%	90.6	8.5	12.1%	10.3%	0.995	6.2	6.8	-	0.267	0.089	0.885	0.256	0.269	0.229	1.119	4.400	-	NOT_TESTED	6
insu_I_x06da_13keV	inhouse	pass	I 2 3	I 2 3	0.00	1.000	1.46	1.64	+10.9%	99.6	38.8	32.5%	8.4%	0.999	-	18.8	-	0.234	0.027	0.941	0.258	0.233	0.161	1.601	1.180	-	NOT_TESTED	9
insu_I_x06da_5keV	inhouse	pass	I 2 3	I 2 3	0.03	0.999	2.43	2.45	+0.9%	95.4	28.1	6.6%	4.4%	1.000	28.1	17.5	-	0.221	0.105	0.923	0.245	0.228	0.161	1.524	7.960	-	ACCEPTED	5
insu_I_x06da_5keV_2	inhouse	pass	I 2 3	I 2 3	0.04	0.999	2.42	2.45	+1.1%	93.9	29.5	8.4%	5.8%	1.000	25.0	20.0	-	0.219	0.261	0.900	0.295	0.273	0.161	1.832	9.130	-	NOT_TESTED	4
insu_I_x06da_6keV	inhouse	pass	I 2 3	I 2 3	0.04	0.999	2.03	2.04	+0.7%	95.6	28.4	6.1%	4.8%	1.000	20.8	17.9	-	0.213	0.036	0.933	0.236	0.213	0.161	1.463	11.430	-	ACCEPTED	5
insu_I_x06da_low_isa	inhouse	pass	I 2 3	I 2 3	0.08	1.002	1.44	1.30	-10.5%	99.9	31.9	22.4%	16.1%	0.998	5.6	4.2	-	0.226	0.098	0.933	0.261	0.229	0.161	1.621	3.120	-	NOT_TESTED	8
insu_I_x06da_ref	inhouse	pass	I 2 3	I 2 3	0.13	1.004	1.40	1.62	+13.4%	99.6	24.7	30.4%	6.2%	0.999	32.1	25.1	-	0.226	0.077	0.937	0.245	0.228	0.161	1.523	3.310	-	NOT_TESTED	8
insu_I_x06da_weak	inhouse	pass	I 2 3	I 2 3	0.79	1.024	1.64	1.81	+9.5%	99.8	40.1	16.8%	4.9%	1.000	14.9	18.9	-	0.290	0.189	0.919	0.329	0.294	0.161	2.043	2.090	-	NOT_TESTED	10
kdp_x10sa_20keV	inhouse	fail	I 41 m d	I -4 2 d	0.07	1.002	0.66	0.74	+10.3%	90.9	16.7	5.2%	4.6%	0.999	24.1	4.1	-	-	-	-	-	-	-	-	-	-	-	19	I 41 m d vs reference I -4 2 d
lcystine_x10sa_20keV	inhouse	pass	P 61 2 2	P 61 2 2	0.48	0.991	0.66	-	-	92.2	17.8	39.5%	15.7%	1.000	5.1	-	-	-	-	-	-	-	-	-	-	-	-	17
lcystine_x10sa_25keV	inhouse	pass	P 61 2 2	P 61 2 2	0.52	0.990	0.53	-	-	92.0	21.4	26.2%	12.6%	1.000	5.3	-	-	-	-	-	-	-	-	-	-	-	-	14
lysoI_micromax_mono	inhouse	pass	P 41 21 2	P 43 21 2	0.10	0.998	1.35	1.65	+18.1%	98.7	9.5	7.1%	2.9%	1.000	37.5	31.4	-	0.271	0.080	0.906	0.292	0.276	0.177	1.647	3.180	-	ACCEPTED	17	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	0.10	0.998	1.40	1.65	+15.5%	99.4	10.0	8.1%	3.1%	1.000	35.5	29.2	-	0.275	0.083	0.899	0.296	0.279	0.177	1.672	2.430	-	ACCEPTED	11	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	0.16	1.003	1.18	1.50	+21.5%	79.1	8.3	5.0%	2.5%	1.000	40.1	39.9	-	0.233	0.152	0.932	0.248	0.242	0.177	1.401	4.520	-	ACCEPTED	16	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	0.12	1.002	1.21	1.45	+16.8%	84.0	8.3	5.1%	2.5%	1.000	41.0	37.4	-	0.236	0.171	0.931	0.259	0.251	0.177	1.460	4.540	-	ACCEPTED	11	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	0.10	0.999	2.44	2.45	+0.6%	86.9	19.7	6.5%	5.4%	0.999	27.5	19.4	-	0.280	0.191	0.826	0.298	0.298	0.177	1.680	5.880	-	ACCEPTED	4	labelled P 43 21 2 from the model
lyso_x06da_atten_wedge	inhouse	pass	P 41 21 2	P 41 21 2	0.25	1.006	1.19	1.26	+6.0%	99.7	24.3	56.9%	8.1%	0.998	13.1	16.6	-	0.295	0.071	0.896	0.306	0.296	0.177	1.728	1.910	-	ACCEPTED	15	labelled P 43 21 2 from the model
lyso_x06da_half_image	inhouse	pass	P 41 21 2	P 43 21 2	0.71	1.021	1.57	1.65	+5.1%	99.7	9.9	116.0%	32.1%	0.967	6.9	6.6	-	0.278	0.060	0.889	0.289	0.282	0.177	1.629	0.870	-	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	0.09	1.002	1.34	1.43	+6.4%	99.7	19.4	18.9%	4.7%	0.999	22.4	23.3	-	0.287	0.103	0.902	0.313	0.292	0.177	1.765	2.660	-	ACCEPTED	11	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	0.04	1.000	0.99	1.20	+17.3%	85.7	22.2	4.8%	2.7%	1.000	29.9	28.3	-	0.271	0.089	0.902	0.287	0.275	0.177	1.621	9.670	-	ACCEPTED	12	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%	99.7	6.4	17.9%	4.6%	0.998	20.8	20.8	-	0.381	0.107	0.818	0.371	0.387	0.177	2.096	0.300	-	ACCEPTED	7	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	1.84	1.97	+6.6%	99.8	6.4	17.5%	4.7%	0.998	18.9	18.1	-	0.379	0.116	0.816	0.373	0.387	0.177	2.107	0.570	-	ACCEPTED	7	labelled P 43 21 2 from the model
lyso_x10sa_strong	inhouse	pass	P 41 21 2	P 41 21 2	0.63	0.984	1.37	1.24	-10.6%	99.6	21.7	23.3%	10.3%	0.997	5.4	8.6	-	0.373	0.126	0.844	0.365	0.376	0.177	2.059	1.370	-	ACCEPTED	34	labelled P 43 21 2 from the model
myob_x06da	inhouse	pass	P 1 21 1	P 1 21 1	0.12	1.003	1.23	1.42	+13.4%	99.7	6.7	17.0%	4.1%	0.998	24.7	7.6	-	0.229	0.105	0.953	0.233	0.236	0.218	1.069	3.420	-	NOT_TESTED	6
myob_x06da_powder_1	inhouse	pass	P 1 21 1	P 1 21 1	0.02	1.000	1.50	1.50	-0.5%	99.3	5.5	92.4%	24.8%	0.852	1.7	5.5	-	0.516	0.233	0.147	0.542	0.524	0.218	2.488	0.620	-	ACCEPTED	11
myob_x06da_powder_2	inhouse	pass	P 1 21 1	P 1 21 1	0.34	0.995	1.48	0.99	-49.0%	99.4	5.5	111.4%	43.9%	0.916	2.7	2.2	-	0.439	0.139	0.085	0.476	0.450	0.218	2.183	0.880	-	NOT_TESTED	10
myob_x06da_sparse	inhouse	pass	P 1 21 1	P 1 21 1	0.44	0.993	1.76	2.00	+11.8%	99.7	5.5	46.3%	18.3%	0.903	3.0	5.5	-	0.399	0.142	0.769	0.366	0.403	0.218	1.679	0.840	-	NOT_TESTED	11
myob_x06da_split	inhouse	pass	P 1 21 1	P 1 21 1	0.24	0.998	1.21	1.51	+19.7%	99.6	5.9	288.5%	36.5%	0.788	1.6	12.4	-	0.473	0.133	0.061	0.484	0.486	0.218	2.221	-0.180	-	NOT_TESTED	11
myob_x10sa	inhouse	pass	P 1 21 1	P 1 21 1	0.30	1.004	1.55	1.74	+10.8%	97.4	5.6	17.8%	7.8%	0.995	10.4	5.2	-	0.245	0.054	0.937	0.246	0.247	0.218	1.128	2.060	-	NOT_TESTED	10
nothing_1	inhouse	pass	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	19	no lattice reported, as expected
nothing_2	inhouse	pass	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	17	no lattice reported, as expected
thau_bl1a_3p8keV	inhouse	pass	P 41 21 2	P 4 2 2	0.05	0.999	3.02	3.10	+2.7%	88.8	15.5	6.9%	5.8%	0.998	31.5	30.8	-	0.185	0.030	0.934	0.188	0.186	0.151	1.242	8.930	-	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	0.999	2.47	2.53	+2.5%	88.4	15.8	6.8%	5.4%	0.999	35.6	35.6	-	0.183	0.028	0.943	0.175	0.185	0.151	1.155	8.520	-	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	1.73	1.78	+2.6%	88.5	16.1	7.5%	4.7%	0.999	43.3	34.5	-	0.191	0.050	0.951	0.183	0.194	0.151	1.209	6.740	-	NOT_TESTED	9	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	0.16	0.996	1.24	1.40	+11.4%	94.8	13.8	8.7%	5.0%	0.999	15.9	21.2	-	0.190	0.200	0.962	0.212	0.215	0.151	1.405	4.030	-	NOT_TESTED	12
thau_x10sa_0p1deg	inhouse	pass	P 41 21 2	P 41 21 2	0.23	0.993	1.91	2.20	+12.9%	87.2	17.3	14.4%	7.3%	0.998	10.7	9.2	-	0.236	0.022	0.932	0.231	0.237	0.151	1.527	1.320	-	NOT_TESTED	16
thau_x10sa_16keV	inhouse	pass	P 41 21 2	P 41 21 2	0.02	1.000	1.22	1.30	+6.3%	82.4	17.6	7.1%	2.8%	1.000	53.3	44.5	-	0.227	0.114	0.942	0.230	0.234	0.151	1.522	2.360	-	NOT_TESTED	14
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	33.1	36.2	-	0.227	0.024	0.939	0.223	0.229	0.151	1.475	9.390	-	NOT_TESTED	14
yag_x10sa_20keV	inhouse	pass	I a -3 d	I a -3 d	0.03	1.001	0.67	0.68	+2.2%	96.6	34.4	41.2%	46.1%	0.697	2.8	3.2	-	-	-	-	-	-	-	-	-	-	-	13

Delta vs baseline 20260929-2003_cca7bf_r12-rc173-refmac

Baseline rugnux 1.0.0-rc.173. Pass rates on the sets both runs have:

arm	common sets	baseline	this run
open	171	166/169 (98%)	164/168 (98%)
inhouse	39	39/39 (100%)	39/39 (100%)

Rows whose result moved beyond noise (thresholds in report.py NOISE; confirm with compare --rerun-changed before believing a single-set change):

set	arm	verdict	space group	d_min	ISa	R_meas	CC1/2	cell dev %	R_model (shell-scaled)	R_free	radial misfit	anom. sigma	ref-range R_meas	ref-range low-res R_meas	SHELXL R1	SHELXL wR2	SHELXL GooF	SHELXL EXTI	time s	beyond noise
insu_H_x06da_twin	inhouse	pass	R 3:H	1.38	6.3 -> 6.2	12.8% -> 12.1%	0.994 -> 0.995	0.04	- -> 0.267	- -> 0.256	- -> 0.09	- -> 4.40	13.2% -> 12.5%	11.5% -> 10.3%	-	-	-	-	12 -> 6	r_meas, refres_r_meas, refres_lowres_r_meas
insu_I_x06da_13keV	inhouse	pass	I 2 3	1.48 -> 1.46	-	31.8% -> 32.5%	0.999	0.27 -> 0.00	- -> 0.234	- -> 0.258	- -> 0.03	- -> 1.18	26.8% -> 26.6%	8.0% -> 8.1%	-	-	-	-	16 -> 9	cell_dev_pct, refres_isa
insu_I_x06da_ref	inhouse	pass	I 2 3	1.40	31.1 -> 32.1	27.8% -> 30.4%	0.999	0.13	- -> 0.226	- -> 0.245	- -> 0.08	- -> 3.31	24.0% -> 25.6%	5.9% -> 6.1%	-	-	-	-	15 -> 8	r_meas, refres_r_meas
lysoI_micromax_pink	inhouse	pass	P 41 21 2	1.42 -> 1.40	33.5 -> 35.5	7.4% -> 8.1%	1.000	0.09 -> 0.10	- -> 0.275	- -> 0.296	- -> 0.08	- -> 2.43	6.3% -> 6.7%	3.1% -> 3.2%	-	-	-	-	17 -> 11	isa, r_meas, refres_r_meas
lyso_micromax_mono	inhouse	pass	P 41 21 2	1.20 -> 1.18	39.0 -> 40.1	4.9% -> 5.0%	1.000	0.16	- -> 0.233	- -> 0.248	- -> 0.15	- -> 4.52	4.6% -> 4.7%	2.5%	-	-	-	-	24 -> 16	completeness
lyso_micromax_pink	inhouse	pass	P 41 21 2	1.26 -> 1.21	35.7 -> 41.0	5.2% -> 5.1%	1.000	0.16 -> 0.12	- -> 0.236	- -> 0.259	- -> 0.17	- -> 4.54	4.9%	2.5% -> 2.4%	-	-	-	-	17 -> 11	d_min, isa, completeness, refres_isa
lyso_x06da_5keV	inhouse	pass	P 41 21 2	2.43 -> 2.44	25.6 -> 27.5	6.6% -> 6.5%	0.999	0.29 -> 0.10	- -> 0.280	- -> 0.298	- -> 0.19	- -> 5.88	5.9% -> 5.7%	5.4%	-	-	-	-	8 -> 4	isa, refres_isa
lyso_x06da_atten_wedge	inhouse	pass	P 41 21 2	1.16 -> 1.19	13.0 -> 13.1	35.8% -> 56.9%	0.999 -> 0.998	0.25	- -> 0.295	- -> 0.306	- -> 0.07	- -> 1.91	30.9% -> 47.6%	7.1% -> 7.7%	-	-	-	-	19 -> 15	d_min, r_meas, completeness, refres_r_meas, refres_lowres_r_meas
lyso_x06da_half_image	inhouse	pass	P 41 21 2	1.56 -> 1.57	7.3 -> 6.9	101.0% -> 116.0%	0.972 -> 0.967	0.71	- -> 0.278	- -> 0.289	- -> 0.06	- -> 0.87	94.7% -> 109.0%	25.6% -> 31.5%	-	-	-	-	47 -> 10	isa, r_meas, refres_r_meas, refres_lowres_r_meas, time
lyso_x10sa_90deg_1	inhouse	pass	P 41 21 2	1.86 -> 1.82	18.8 -> 20.8	18.1% -> 17.9%	0.997 -> 0.998	0.12	- -> 0.381	- -> 0.371	- -> 0.11	- -> 0.30	16.3% -> 15.4%	4.7% -> 4.5%	-	-	-	-	10 -> 7	isa, refres_r_meas, refres_isa
lyso_x10sa_90deg_2	inhouse	pass	P 41 21 2	1.88 -> 1.84	17.7 -> 18.9	17.7% -> 17.5%	0.998	0.16	- -> 0.379	- -> 0.373	- -> 0.12	- -> 0.57	16.2% -> 15.2%	4.8% -> 4.6%	-	-	-	-	9 -> 7	d_min, isa, refres_r_meas, refres_isa
lyso_x10sa_strong	inhouse	pass	P 41 21 2	1.37	4.9 -> 5.4	24.0% -> 23.3%	0.996 -> 0.997	0.63	- -> 0.373	- -> 0.365	- -> 0.13	- -> 1.37	24.0% -> 23.3%	12.9% -> 11.4%	-	-	-	-	40 -> 34	isa, refres_isa, refres_lowres_r_meas
myob_x06da_powder_1	inhouse	pass	P 1 2 1 -> P 1 21 1	1.38 -> 1.50	2.4 -> 1.7	98.7% -> 92.4%	0.929 -> 0.852	0.02	- -> 0.516	- -> 0.542	- -> 0.23	- -> 0.62	83.4% -> 92.4%	17.0% -> 24.9%	-	-	-	-	16 -> 11	space group, d_min, isa, r_meas, cc_half, refres_r_meas, refres_isa, refres_lowres_r_meas
myob_x06da_powder_2	inhouse	pass	P 1 2 1 -> P 1 21 1	1.41 -> 1.48	2.8 -> 2.7	151.9% -> 111.4%	0.888 -> 0.916	0.34	- -> 0.439	- -> 0.476	- -> 0.14	- -> 0.88	151.9% -> 111.4%	58.8% -> 45.0%	-	-	-	-	18 -> 10	space group, d_min, r_meas, cc_half, refres_r_meas, refres_lowres_r_meas
myob_x06da_sparse	inhouse	pass	P 1 2 1 -> P 1 21 1	1.77 -> 1.76	3.0	49.1% -> 46.3%	0.893 -> 0.903	0.44	- -> 0.399	- -> 0.366	- -> 0.14	- -> 0.84	41.8% -> 39.0%	19.9% -> 17.3%	-	-	-	-	40 -> 11	space group, r_meas, cc_half, refres_r_meas, refres_lowres_r_meas, time
myob_x06da_split	inhouse	pass	P 1 21 1	1.84 -> 1.21	3.1 -> 1.6	69.9% -> 288.5%	0.525 -> 0.788	0.21 -> 0.24	- -> 0.473	- -> 0.484	- -> 0.13	- -> -0.18	69.9% -> 169.7%	20.6% -> 28.9%	-	-	-	-	19 -> 11	d_min, isa, r_meas, cc_half, refres_r_meas, refres_isa, refres_lowres_r_meas
myob_x10sa	inhouse	pass	P 1 21 1	1.62 -> 1.55	9.1 -> 10.4	18.4% -> 17.8%	0.994 -> 0.995	0.31 -> 0.30	- -> 0.245	- -> 0.246	- -> 0.05	- -> 2.06	17.7% -> 16.2%	7.9% -> 7.7%	-	-	-	-	18 -> 10	d_min, isa, refres_r_meas, refres_isa
nothing_1	inhouse	pass	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	51 -> 19	time
nothing_2	inhouse	pass	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	48 -> 17	time
thau_bl1a_3p8keV	inhouse	pass	P 41 21 2	3.02	17.4 -> 31.5	8.1% -> 6.9%	0.997 -> 0.998	0.02 -> 0.05	- -> 0.185	- -> 0.188	- -> 0.03	- -> 8.93	7.4% -> 6.1%	6.9% -> 5.6%	-	-	-	-	10 -> 7	isa, r_meas, refres_r_meas, refres_isa, refres_lowres_r_meas
thau_bl1a_4p6keV	inhouse	pass	P 41 21 2	2.47	33.8 -> 35.6	7.0% -> 6.8%	0.999	0.08 -> 0.06	- -> 0.183	- -> 0.175	- -> 0.03	- -> 8.52	6.6% -> 6.4%	5.2%	-	-	-	-	11 -> 6	isa, refres_isa
thau_bl1a_6p5keV	inhouse	pass	P 41 21 2	1.73	- -> 43.3	7.2% -> 7.5%	0.999	0.04 -> 0.03	- -> 0.191	- -> 0.183	- -> 0.05	- -> 6.74	7.1% -> 7.3%	4.6%	-	-	-	-	15 -> 9	isa, refres_isa
thau_micromax_pink	inhouse	pass	P 41 21 2	1.28 -> 1.24	15.4 -> 15.9	8.6% -> 8.7%	0.999	0.13 -> 0.16	- -> 0.190	- -> 0.212	- -> 0.20	- -> 4.03	8.6%	4.9%	-	-	-	-	21 -> 12	d_min, completeness
thau_x10sa_0p1deg	inhouse	pass	P 41 21 2	2.04 -> 1.91	7.0 -> 10.7	18.7% -> 14.4%	0.999 -> 0.998	0.23	- -> 0.236	- -> 0.231	- -> 0.02	- -> 1.32	18.4% -> 13.6%	9.1% -> 6.9%	-	-	-	-	23 -> 16	d_min, isa, r_meas, completeness, refres_r_meas, refres_isa, refres_lowres_r_meas
thau_x10sa_injection	inhouse	pass	P 41 21 2	1.26	33.2 -> 33.1	3.9%	1.000	0.02	- -> 0.227	- -> 0.223	- -> 0.02	- -> 9.39	3.9%	2.6%	-	-	-	-	28 -> 14	time
11if	open	pass	P 41	1.38 -> 1.36	25.5 -> 26.0	4.6% -> 4.8%	1.000	0.12	0.191 -> 0.192	0.200 -> 0.189	0.19 -> 0.14	- -> 3.00	-	-	-	-	-	-	14 -> 10	completeness, radial_misfit, rfree
36gk	open	pass	I 2 2 2	2.09	11.8	15.7%	0.998	0.09	0.203	0.203	0.11	- -> 2.78	-	-	-	-	-	-	41 -> 29	time
3inp	open	pass	F 41 3 2	1.70	13.3 -> 13.2	10.9% -> 10.8%	0.999	0.04	0.239	0.239	0.07	- -> 2.94	-	-	-	-	-	-	56 -> 33	time
3ky7	open	pass	P 43 3 2	1.92	12.3 -> 12.2	10.7%	0.999	0.03	0.341 -> 0.339	0.335	0.05 -> 0.04	- -> 0.43	-	-	-	-	-	-	57 -> 17	time
5ebi	open	pass -> fail	P 1 21 1 -> C 2 2 21	0.90 -> 0.85	14.4 -> 10.9	10.6% -> 12.3%	0.997 -> 0.998	0.05 -> 40.33	0.549 -> 0.579	0.535 -> 0.574	0.07 -> 0.14	- -> -0.09	-	-	-	-	-	-	52 -> 21	verdict pass->fail, space group, d_min, isa, r_meas, cell_dev_pct, rmodel_shell_scaled, radial_misfit, rfree, time
5epe	open	pass	F 2 3	1.78 -> 1.77	10.0 -> 9.9	14.3% -> 16.5%	0.998	0.00	0.166 -> 0.173	0.175 -> 0.181	0.08 -> 0.11	- -> 11.96	-	-	-	-	-	-	67 -> 30	r_meas, rmodel_shell_scaled, rfree, time
5j23	open	pass	R 3:H	2.17 -> 2.18	11.5 -> 11.6	15.2% -> 14.8%	0.996	0.15	0.227 -> 0.225	0.234 -> 0.233	0.13	- -> 0.79	-	-	-	-	-	-	62 -> 26	time
5jvn	open	pass	P 6 2 2	2.24 -> 2.23	15.6 -> 15.7	16.3% -> 16.4%	0.998	0.03	0.234 -> 0.228	0.250 -> 0.249	0.14	- -> 1.36	-	-	-	-	-	-	40 -> 29	rmodel_shell_scaled, time
5ky6	open	pass	P 1 21 1	1.55 -> 1.54	7.2 -> 6.1	27.3% -> 25.6%	0.987 -> 0.986	0.64	0.245 -> 0.233	0.249 -> 0.243	0.11 -> 0.12	- -> 0.54	-	-	-	-	-	-	92 -> 26	isa, r_meas, rmodel_shell_scaled, rfree, time
5m17	open	pass	I 4	0.98	16.0 -> 16.2	6.0% -> 5.6%	0.994 -> 0.996	0.08	0.132	0.159 -> 0.158	0.23 -> 0.22	- -> 7.09	-	-	-	-	-	-	102 -> 80	r_meas
5mln	open	pass	P 21 21 2	1.26	21.4 -> 21.5	10.4%	0.999	0.10	0.184 -> 0.181	0.189 -> 0.188	0.14	- -> 2.19	-	-	-	-	-	-	45 -> 17	time
5nw5	open	pass	P 21 21 21	7.10 -> 7.06	8.8 -> 7.8	32.0% -> 33.2%	0.936 -> 0.928	0.19	0.401 -> 0.392	0.440 -> 0.464	0.36 -> 0.27	- -> 0.16	-	-	-	-	-	-	47 -> 11	isa, cc_half, rmodel_shell_scaled, radial_misfit, rfree, time
5reo	open	pass	C 1 2 1	1.65 -> 1.67	24.0 -> 26.9	22.1% -> 21.9%	0.990	0.35 -> 0.78	0.204 -> 0.202	0.202 -> 0.201	0.07	- -> 0.72	-	-	-	-	-	-	10 -> 8	isa, cell_dev_pct
5t39	open	pass	P 1 21 1	1.01 -> 1.02	16.0 -> 16.1	7.0% -> 7.3%	0.998	0.13 -> 0.17	0.152	0.165 -> 0.160	0.17 -> 0.10	- -> 6.27	-	-	-	-	-	-	75 -> 24	radial_misfit, time
6cdl	open	pass	P 21 21 2	1.15 -> 1.13	11.2 -> 9.8	8.2% -> 8.7%	0.996	1.22 -> 0.93	0.150 -> 0.148	0.174 -> 0.154	0.28 -> 0.12	- -> 4.35	-	-	-	-	-	-	57 -> 20	isa, r_meas, completeness, cell_dev_pct, radial_misfit, rfree, time
6f3p	open	pass	C 1 2 1	1.13 -> 1.14	9.4	10.6% -> 10.0%	0.997	0.12 -> 0.19	0.144 -> 0.143	0.167 -> 0.168	0.18 -> 0.21	- -> -3.38	-	-	-	-	-	-	130 -> 43	r_meas, time
6fvz	open	pass	C 2 2 2	1.49	20.6 -> 20.8	24.2% -> 24.4%	0.996	0.43 -> 0.15	0.202 -> 0.198	0.206 -> 0.203	0.10 -> 0.09	- -> 1.32	-	-	-	-	-	-	36 -> 33	cell_dev_pct
6g1f	open	pass	C 1 2 1	1.93	21.2 -> 21.6	11.7% -> 11.6%	0.997	0.04	0.210 -> 0.207	0.224 -> 0.223	0.14	- -> 1.07	-	-	-	-	-	-	140 -> 29	time
6h2p_1p89A	open	pass	C 2 2 21	1.76	22.5 -> 22.9	8.3% -> 8.6%	0.999	0.03 -> 0.08	0.144 -> 0.143	0.154 -> 0.149	0.11 -> 0.07	- -> 9.11	-	-	-	-	-	-	172 -> 30	rfree, time
6h2p_native	open	pass	C 2 2 21	1.32	19.9 -> 20.1	13.7% -> 13.6%	0.999	0.04 -> 0.02	0.170 -> 0.161	0.174 -> 0.165	0.08 -> 0.07	- -> 3.34	-	-	-	-	-	-	110 -> 36	rmodel_shell_scaled, rfree, time
6h5t	open	pass	I 4 2 2	1.48 -> 1.47	9.2	15.2% -> 14.8%	0.996	0.40 -> 0.33	0.203 -> 0.197	0.218 -> 0.223	0.13 -> 0.18	- -> 8.98	-	-	-	-	-	-	35 -> 15	rmodel_shell_scaled, radial_misfit, time
6hv2	open	pass	P 61 2 2	1.42 -> 1.41	13.6 -> 13.7	18.1% -> 19.7%	1.000	0.04	0.235 -> 0.220	0.247 -> 0.241	0.46 -> 0.35	- -> 7.82	-	-	-	-	-	-	37 -> 22	r_meas, rmodel_shell_scaled, radial_misfit, rfree, time
6i3j	open	pass	F 2 2 2	2.32	7.0 -> 6.8	23.5% -> 24.6%	0.983 -> 0.977	0.08	0.202 -> 0.203	0.233 -> 0.236	0.16 -> 0.17	- -> 1.73	-	-	-	-	-	-	83 -> 34	cc_half, time
6iu5	open	pass	P 31	2.12	7.9 -> 8.0	18.9% -> 18.2%	0.991 -> 0.993	0.02	0.212	0.215 -> 0.216	0.08	- -> 7.65	-	-	-	-	-	-	89 -> 20	time
6iu6	open	pass	P 31	2.38 -> 2.36	7.0 -> 7.2	14.2% -> 11.6%	0.992 -> 0.996	0.33	0.221	0.234	0.19 -> 0.17	- -> 3.53	-	-	-	-	-	-	87 -> 19	r_meas, time
6iu9	open	pass	P 31	2.73 -> 2.74	5.3 -> 5.5	18.0% -> 14.4%	0.989 -> 0.992	0.22 -> 0.30	0.306 -> 0.311	0.316 -> 0.321	0.11 -> 0.08	- -> 1.36	-	-	-	-	-	-	129 -> 19	r_meas, rfree, time
6jgh	open	pass	P 21 21 21	0.87	6.7 -> 6.6	22.7% -> 23.3%	0.989 -> 0.990	0.39	0.148 -> 0.136	0.169 -> 0.156	0.19 -> 0.17	- -> 2.17	-	-	-	-	-	-	105 -> 30	rmodel_shell_scaled, rfree, time
6jgi	open	pass	P 21 21 21	0.75	8.4 -> 8.5	14.4% -> 14.3%	0.995	0.20	0.114 -> 0.112	0.130 -> 0.128	0.15 -> 0.14	- -> 6.30	-	-	-	-	-	-	110 -> 38	time
6moj	open	pass	I 41 2 2	2.43	8.3	52.6% -> 52.4%	0.998	0.08	0.275 -> 0.248	0.285 -> 0.257	0.37 -> 0.21	- -> 1.06	-	-	-	-	-	-	124 -> 48	rmodel_shell_scaled, radial_misfit, rfree, time
6nen	open	pass	P 3 1 2	1.72 -> 1.79	6.3 -> 6.2	26.9% -> 25.6%	0.997	0.07	0.210 -> 0.208	0.212 -> 0.218	0.08 -> 0.11	- -> 0.37	-	-	-	-	-	-	24 -> 18	d_min, rfree
6o2h	open	pass	P 1	1.10	20.8 -> 24.3	7.2% -> 7.0%	0.978	0.74	0.099 -> 0.096	0.131 -> 0.129	0.21 -> 0.13	- -> 0.11	-	-	-	-	-	-	16 -> 13	isa, radial_misfit
6oel	open	pass	F 41 3 2	2.85 -> 2.83	9.9 -> 10.7	36.6% -> 47.3%	0.998 -> 0.997	0.00	0.248 -> 0.249	0.255 -> 0.266	0.14 -> 0.19	- -> 0.63	-	-	-	-	-	-	57 -> 23	isa, r_meas, rfree, time
6p8p	open	pass	P 4	1.47	15.3 -> 15.5	12.4% -> 12.5%	0.998	0.14	0.192 -> 0.187	0.209 -> 0.205	0.18 -> 0.17	- -> 1.90	-	-	-	-	-	-	25 -> 16	rmodel_shell_scaled
6pb3	open	pass	P 6	1.85	24.6 -> 22.8	6.3% -> 6.5%	1.000	0.17 -> 0.19	0.215 -> 0.214	0.233 -> 0.229	0.14 -> 0.11	- -> 10.83	-	-	-	-	-	-	34 -> 36	isa
6pxb	open	pass	P 31 1 2	1.39	12.0 -> 12.1	8.8%	0.999	0.23	0.245 -> 0.240	0.277 -> 0.279	0.31 -> 0.26	- -> 0.63	-	-	-	-	-	-	38 -> 14	radial_misfit, time
6pxc	open	pass	I 2 2 2	1.43 -> 1.41	10.1 -> 10.2	8.5% -> 8.0%	0.996 -> 0.998	0.23 -> 0.24	0.209 -> 0.210	0.215 -> 0.214	0.17 -> 0.16	- -> 0.91	-	-	-	-	-	-	36 -> 11	completeness, time
6qaj	open	pass	C 2 2 21	2.70	13.1 -> 13.2	24.6% -> 24.5%	0.997	0.41	0.376 -> 0.321	0.390 -> 0.331	0.48 -> 0.22	- -> 4.45	-	-	-	-	-	-	67 -> 22	rmodel_shell_scaled, radial_misfit, rfree, time
6r72	open	pass	P 1 21 1	4.39	15.7 -> 18.0	14.8% -> 16.6%	0.999 -> 1.000	1.32	0.374 -> 0.362	0.383 -> 0.367	0.06 -> 0.04	- -> 0.13	-	-	-	-	-	-	29 -> 21	isa, r_meas, rmodel_shell_scaled, rfree
6rlr	open	pass	P 1	2.07 -> 1.95	13.2 -> 16.3	11.0% -> 11.9%	0.998	0.03	0.249 -> 0.247	0.258 -> 0.254	0.08 -> 0.09	- -> 0.72	-	-	-	-	-	-	18 -> 11	d_min, isa, r_meas
6s1u	open	pass	P 1 21 1	1.75	13.7	22.4%	0.993 -> 0.989	0.13	0.204 -> 0.202	0.208 -> 0.200	0.09	- -> 0.63	-	-	-	-	-	-	36 -> 11	rfree, time
6toc	open	pass	P 42 2 2	1.64	24.3 -> 24.8	9.4%	1.000	0.30	0.276	0.269 -> 0.268	0.14	- -> 0.54	-	-	-	-	-	-	49 -> 9	time
6ttn	open	pass	P 21 21 21	1.08 -> 1.05	14.5 -> 14.8	10.7% -> 10.2%	0.999	0.41 -> 0.06	0.132	0.155 -> 0.144	0.16 -> 0.11	- -> 8.57	-	-	-	-	-	-	48 -> 34	d_min, completeness, cell_dev_pct, radial_misfit, rfree, time
6u7g	open	pass	P 1 21 1	1.92 -> 1.89	13.2 -> 13.3	8.3% -> 8.0%	0.998	0.13	0.201 -> 0.198	0.206 -> 0.200	0.14 -> 0.11	- -> 1.61	-	-	-	-	-	-	70 -> 17	completeness, rfree, time
6ukf	open	pass	P 1 21 1	0.95	9.4 -> 9.3	10.7% -> 10.0%	0.997 -> 0.998	0.07 -> 0.24	0.166 -> 0.165	0.162 -> 0.161	0.09 -> 0.06	- -> 2.26	-	-	-	-	-	-	54 -> 41	r_meas, time
6vww	open	pass	P 63	2.00 -> 1.98	8.6 -> 8.0	15.9% -> 16.7%	0.993	0.20 -> 0.06	0.239 -> 0.240	0.241 -> 0.243	0.10 -> 0.11	- -> 0.68	-	-	-	-	-	-	24 -> 13	isa, time
6w4h	open	pass	P 31 2 1	1.62	18.4 -> 18.5	7.7% -> 7.6%	0.999	0.02	0.163	0.168	0.15	- -> 4.71	-	-	-	-	-	-	69 -> 20	time
6w75	open	pass	P 31 2 1	1.68 -> 1.69	15.8 -> 16.0	11.9%	0.999	0.01	0.177 -> 0.175	0.185 -> 0.187	0.13 -> 0.16	- -> 3.63	-	-	-	-	-	-	92 -> 31	time
6wzo	open	pass	P 1	1.06 -> 1.04	16.9 -> 16.8	5.8% -> 6.2%	0.998 -> 0.999	0.04	0.179 -> 0.174	0.186 -> 0.175	0.24 -> 0.12	- -> 2.69	-	-	-	-	-	-	57 -> 43	r_meas, completeness, radial_misfit, rfree, time
6yqf	open	pass	P 21 21 2	3.05 -> 3.39	3.9 -> 4.8	50.3% -> 41.7%	0.988 -> 0.983	0.71	0.432 -> 0.407	0.470 -> 0.436	0.33 -> 0.13	- -> 0.18	-	-	-	-	-	-	24 -> 17	d_min, isa, r_meas, cc_half, rmodel_shell_scaled, radial_misfit, rfree
6z8o	open	pass	P 1 21 1	2.23 -> 2.21	13.8 -> 14.0	17.1% -> 17.4%	0.995 -> 0.996	0.63	0.290 -> 0.275	0.295 -> 0.281	0.09 -> 0.07	- -> 1.25	-	-	-	-	-	-	62 -> 12	rmodel_shell_scaled, rfree, time
6z9g	open	fail	P 1 21 1	1.60	14.6 -> 14.8	11.5%	0.997	22.53 -> 22.48	0.533 -> 0.531	0.542	0.18	- -> 0.01	-	-	-	-	-	-	90 -> 22	time
6ze4	open	pass	P 21 21 21	1.30	9.2 -> 10.3	20.4% -> 19.8%	0.992	0.59 -> 0.62	0.232 -> 0.216	0.237 -> 0.223	0.11 -> 0.09	- -> 1.73	-	-	-	-	-	-	73 -> 43	isa, rmodel_shell_scaled, rfree, time
6zqr	open	pass	P 4	1.79 -> 1.76	8.7 -> 9.1	19.6% -> 19.4%	0.996 -> 0.995	0.40	0.190 -> 0.197	0.198 -> 0.204	0.12 -> 0.17	- -> 1.34	-	-	-	-	-	-	45 -> 15	rmodel_shell_scaled, rfree, time
6zqy	open	pass	P 4	1.72 -> 1.71	13.8 -> 12.3	18.5% -> 22.7%	0.997 -> 0.994	0.12 -> 0.11	0.212 -> 0.219	0.226	0.20 -> 0.15	- -> 1.20	-	-	-	-	-	-	62 -> 15	isa, r_meas, rmodel_shell_scaled, radial_misfit, time
6zr0	open	pass	P 4	1.73 -> 1.67	24.3 -> 23.4	11.1% -> 13.3%	0.997 -> 0.996	0.08	0.217 -> 0.218	0.224 -> 0.218	0.14 -> 0.05	- -> 1.67	-	-	-	-	-	-	61 -> 24	d_min, r_meas, radial_misfit, rfree, time
7arr	open	pass	P 1	0.92	17.3 -> 18.9	4.7% -> 3.7%	0.993 -> 0.999	0.28	0.155 -> 0.154	0.175 -> 0.165	0.27 -> 0.20	- -> 0.06	-	-	-	-	-	-	41 -> 28	isa, r_meas, cc_half, radial_misfit, rfree, time
7atg	open	pass	P 21 21 21	0.60	22.5 -> 22.9	5.1% -> 5.2%	0.995 -> 0.994	0.08 -> 0.10	0.135 -> 0.128	0.199 -> 0.178	0.23 -> 0.21	- -> 6.63	-	-	-	-	-	-	41 -> 24	rmodel_shell_scaled, rfree, time
7bgt	open	pass	P 1	1.77 -> 1.78	14.7 -> 17.2	15.0% -> 13.7%	0.989 -> 0.993	0.32	0.197 -> 0.195	0.207	0.12	- -> 0.24	-	-	-	-	-	-	32 -> 9	isa, r_meas, time
7brr	open	pass	P 1 21 1	1.27 -> 1.25	15.8 -> 16.4	6.5% -> 6.7%	0.999	0.09	0.191 -> 0.192	0.195 -> 0.191	0.15 -> 0.10	- -> 3.09	-	-	-	-	-	-	25 -> 14	completeness, radial_misfit, time
7kcn	open	pass	P 41 2 2	1.39	11.7 -> 11.8	7.8%	0.999	0.07	0.172	0.189	0.15	- -> 8.45	-	-	-	-	-	-	39 -> 28	time
7l6j	open	pass	I 41 3 2	1.51	10.5	21.1% -> 20.9%	0.999	0.00	0.172	0.186 -> 0.187	0.17 -> 0.18	- -> 29.12	-	-	-	-	-	-	108 -> 36	time
7mzt	open	fail -> unscored	P 21 21 21	3.25 -> 3.15	3.4 -> 3.1	269.6% -> 356.5%	0.968 -> 0.966	0.56	0.452 -> 0.414	0.466 -> 0.419	0.16 -> 0.10	- -> 0.06	-	-	-	-	-	-	37 -> 30	verdict fail->unscored, d_min, isa, r_meas, rmodel_shell_scaled, radial_misfit, rfree
7n0i	open	pass	P 21 21 21	1.65 -> 1.64	10.7 -> 10.6	14.0% -> 13.8%	0.998	0.22 -> 0.38	0.290 -> 0.267	0.310 -> 0.292	0.36 -> 0.27	- -> 0.59	-	-	-	-	-	-	58 -> 22	rmodel_shell_scaled, radial_misfit, rfree, time
7n2s	open	pass	P 1 21 1	2.57 -> 2.56	9.6 -> 9.9	52.8% -> 56.5%	0.903 -> 0.918	0.07	0.315 -> 0.299	0.334 -> 0.309	0.14 -> 0.12	- -> 0.30	-	-	-	-	-	-	42 -> 10	r_meas, cc_half, rmodel_shell_scaled, rfree, time
7orr	open	pass	I 2 3	1.65 -> 1.62	25.5 -> 26.3	6.4% -> 6.8%	1.000	0.03	0.181 -> 0.183	0.190 -> 0.196	0.14 -> 0.16	- -> 5.06	-	-	-	-	-	-	23 -> 15	r_meas, rfree
7os3	open	pass	P 21 21 21	1.96	24.1 -> 24.3	8.4%	0.999	0.10 -> 0.11	0.182 -> 0.181	0.196 -> 0.194	0.18 -> 0.16	- -> 6.13	-	-	-	-	-	-	40 -> 24	time
7ou1	open	pass	P 1 21 1	1.41 -> 1.40	9.5 -> 9.1	16.1% -> 15.9%	0.991	0.04	0.206 -> 0.202	0.211 -> 0.209	0.09 -> 0.10	- -> 1.51	-	-	-	-	-	-	44 -> 17	time
7ph1	open	pass	I 2 2 2	1.08	15.9 -> 16.0	11.4% -> 11.3%	0.998	0.12	0.160 -> 0.155	0.178 -> 0.174	0.17 -> 0.16	- -> 3.20	-	-	-	-	-	-	87 -> 65	rmodel_shell_scaled, time
7pq7	open	pass	C 1 2 1	1.38 -> 1.37	13.7 -> 14.1	7.1% -> 6.4%	0.998	0.22	0.189 -> 0.188	0.209 -> 0.215	0.18 -> 0.19	- -> 2.38	-	-	-	-	-	-	16 -> 11	r_meas, rfree
7qij	open	pass	P 21 21 21	3.59	9.4	24.5% -> 24.1%	0.996	0.36	0.374 -> 0.357	0.381 -> 0.364	0.07	- -> 0.20	-	-	-	-	-	-	94 -> 79	rmodel_shell_scaled, rfree
7qis	open	pass	P 61	1.75 -> 1.80	17.2 -> 16.6	20.9% -> 20.7%	0.997	0.05 -> 0.44	0.169 -> 0.165	0.192 -> 0.190	0.20 -> 0.19	- -> 1.32	-	-	-	-	-	-	38 -> 35	d_min, cell_dev_pct
7raa	open	pass	P 41 21 2	2.59 -> 2.58	11.0 -> 11.1	17.1% -> 17.0%	1.000	0.04	0.299 -> 0.296	0.336 -> 0.337	0.18 -> 0.26	- -> 0.53	-	-	-	-	-	-	186 -> 22	radial_misfit, time
7ris	open	pass	P 31 2 1	1.51	30.2 -> 30.8	10.0% -> 10.1%	1.000	0.08 -> 0.09	0.196 -> 0.189	0.195 -> 0.190	0.03 -> 0.04	- -> 2.21	-	-	-	-	-	-	29 -> 20	rmodel_shell_scaled
7rji	open	pass	R 3 2:H	1.49	8.3 -> 8.4	13.4% -> 13.1%	0.999	0.27 -> 0.29	0.206 -> 0.205	0.199 -> 0.198	0.12	- -> 6.89	-	-	-	-	-	-	30 -> 19	time
7t5t	open	pass	P 42 21 2	1.24	16.5	6.6% -> 6.5%	0.996 -> 0.999	0.04 -> 0.05	0.164 -> 0.163	0.193 -> 0.192	0.25	- -> 11.24	-	-	-	-	-	-	63 -> 21	time
7tcd	open	pass	C 1 2 1	1.72 -> 1.66	15.0 -> 18.4	10.0% -> 8.6%	0.999	0.20 -> 0.23	0.205 -> 0.191	0.211 -> 0.212	0.14 -> 0.20	- -> 1.19	-	-	-	-	-	-	32 -> 20	d_min, isa, r_meas, completeness, rmodel_shell_scaled, radial_misfit, time
8a1a	open	pass	P 61	1.95 -> 1.89	17.9 -> 20.5	41.5% -> 51.6%	0.998 -> 0.997	0.42 -> 0.16	0.171 -> 0.178	0.177 -> 0.180	0.06 -> 0.03	- -> 1.76	-	-	-	-	-	-	100 -> 67	d_min, isa, r_meas, cell_dev_pct, rmodel_shell_scaled, time
8agq	open	pass	C 1 2 1	0.97	14.0	9.8% -> 9.2%	0.998 -> 0.999	0.30	0.180 -> 0.181	0.204	0.21	- -> 6.36	-	-	-	-	-	-	29 -> 23	r_meas
8dqb	open	pass	I 2 3	2.06 -> 2.05	22.3 -> 22.2	13.5% -> 14.2%	0.996	0.08 -> 0.06	0.230	0.240 -> 0.236	0.13 -> 0.11	- -> 3.11	-	-	-	-	-	-	26 -> 11	r_meas, time
8egn	open	pass	P 21 21 21	1.64 -> 1.63	22.7 -> 22.9	6.1% -> 6.3%	0.999	0.07 -> 0.09	0.200 -> 0.197	0.214	0.16 -> 0.15	- -> 2.53	-	-	-	-	-	-	15 -> 12	completeness
8k1g	open	pass	I 4 2 2	1.63	11.6 -> 11.7	25.7% -> 25.5%	0.999	0.82	0.219 -> 0.206	0.236 -> 0.227	0.23 -> 0.20	- -> 2.25	-	-	-	-	-	-	48 -> 29	rmodel_shell_scaled, rfree, time
8oic	open	pass	P 1	2.37 -> 2.31	19.6 -> 19.9	20.4% -> 25.2%	0.991 -> 0.988	0.02	0.234 -> 0.239	0.250 -> 0.249	0.15 -> 0.12	- -> 0.41	-	-	-	-	-	-	42 -> 26	d_min, r_meas, time
8pqd	open	pass	P 21 21 21	1.30 -> 1.31	14.6 -> 15.0	9.0% -> 9.1%	0.998 -> 0.999	0.04 -> 0.07	0.185 -> 0.184	0.205 -> 0.206	0.23	- -> 3.57	-	-	-	-	-	-	73 -> 50	time
8qaw	open	pass	R 3:H	1.30	10.9 -> 11.0	12.2%	0.997 -> 0.998	0.04	0.144 -> 0.143	0.156 -> 0.154	0.19 -> 0.16	- -> 11.40	-	-	-	-	-	-	326 -> 132	time
8qj5	open	pass	P 1 21 1	1.35 -> 1.32	8.4 -> 8.5	17.1% -> 17.4%	0.996	0.45 -> 0.44	0.189	0.203 -> 0.204	0.14 -> 0.13	- -> 1.59	-	-	-	-	-	-	59 -> 16	d_min, time
8qq7	open	pass	P 62 2 2	3.16	6.3	18.8% -> 19.2%	0.993 -> 0.998	0.65 -> 0.61	0.457 -> 0.431	0.464 -> 0.431	0.50 -> 0.37	- -> 0.64	-	-	-	-	-	-	17 -> 11	rmodel_shell_scaled, radial_misfit, rfree
8r5r	open	pass	P 21 21 21	2.89	15.1	27.8%	0.997	0.11	0.274	0.290 -> 0.289	0.14 -> 0.13	- -> 0.14	-	-	-	-	-	-	35 -> 20	time
8rud	open	pass	P 1 21 1	1.70 -> 1.64	12.3 -> 12.4	29.5% -> 32.6%	0.992	0.40	0.244 -> 0.246	0.255	0.11 -> 0.09	- -> 0.70	-	-	-	-	-	-	284 -> 45	d_min, r_meas, time
8s38	open	pass	I 2 2 2	1.63	22.3 -> 22.4	8.6% -> 8.8%	0.999	0.16	0.181 -> 0.180	0.186	0.14	- -> 2.31	-	-	-	-	-	-	118 -> 38	time
8sa8	open	pass	I 1 2 1	1.11 -> 1.10	22.0	11.2% -> 11.7%	0.999	0.02	0.158 -> 0.155	0.175 -> 0.169	0.17 -> 0.14	- -> 3.79	-	-	-	-	-	-	99 -> 77	rfree
8sqo	open	pass	P 4 3 2	1.33 -> 1.32	14.2	22.1% -> 23.5%	1.000	0.13	0.183	0.211 -> 0.206	0.20 -> 0.18	- -> 7.00	-	-	-	-	-	-	72 -> 22	r_meas, rfree, time
8sqq	open	pass	F 4 3 2	1.90	17.6	25.1%	0.999	0.17	0.211	0.206	0.10	- -> 3.09	-	-	-	-	-	-	73 -> 49	time
8sqt	open	pass	F 4 3 2	1.89 -> 1.86	29.6 -> 17.9	18.9% -> 19.3%	0.999 -> 1.000	0.11 -> 0.10	0.221 -> 0.217	0.224 -> 0.217	0.12 -> 0.14	- -> 3.15	-	-	-	-	-	-	30 -> 50	isa, rfree, time
8t7r	open	pass	C 1 2 1	3.22 -> 3.23	9.9 -> 7.8	35.3% -> 31.3%	0.984	0.28	0.288 -> 0.284	0.288 -> 0.285	0.06 -> 0.08	- -> 0.43	-	-	-	-	-	-	66 -> 51	isa, r_meas
8tha	open	pass	P 62	1.34 -> 1.32	25.9 -> 27.6	13.7% -> 16.6%	1.000 -> 0.999	0.17	0.208 -> 0.212	0.225 -> 0.221	0.16 -> 0.09	- -> 4.46	-	-	-	-	-	-	23 -> 16	isa, r_meas, radial_misfit
8tyy	open	pass	F 4 3 2	1.28	16.3	16.5%	0.999	0.06	0.160	0.180	0.15	- -> 13.55	-	-	-	-	-	-	179 -> 126	time
8u0i	open	pass	P 41 21 2	1.40 -> 1.38	16.1 -> 17.0	7.9% -> 8.1%	0.999	0.06 -> 0.08	0.176 -> 0.180	0.180 -> 0.183	0.07 -> 0.05	- -> 3.31	-	-	-	-	-	-	24 -> 16	isa
8v4o	open	pass	P 61 2 2	2.10 -> 2.11	15.5 -> 14.8	31.9% -> 31.7%	0.998	0.06 -> 0.44	0.241 -> 0.235	0.253 -> 0.254	0.16	- -> 0.84	-	-	-	-	-	-	92 -> 43	cell_dev_pct, rmodel_shell_scaled, time
8xbp	open	pass	C 1 2 1	1.72 -> 1.66	16.2 -> 18.6	10.8% -> 11.1%	0.999	0.15	0.315 -> 0.313	0.325 -> 0.329	0.15 -> 0.18	- -> 1.22	-	-	-	-	-	-	22 -> 15	d_min, isa, completeness
8xte	open	pass	P 31 2 1	1.64	12.4 -> 13.0	25.1% -> 24.8%	0.996	0.06 -> 0.02	0.275 -> 0.274	0.288 -> 0.287	0.13	- -> 0.92	-	-	-	-	-	-	37 -> 65	isa, time
8xtf	open	pass	R 3 2:H	1.84	7.5 -> 7.7	85.8% -> 86.8%	0.987 -> 0.988	0.22 -> 0.23	0.191 -> 0.192	0.185 -> 0.187	0.04 -> 0.05	- -> 1.39	-	-	-	-	-	-	38 -> 23	time
8y74	open	pass	C 1 2 1	1.71 -> 1.68	8.8 -> 8.7	12.3% -> 12.9%	0.997	0.34	0.212 -> 0.214	0.224	0.12 -> 0.10	- -> 1.21	-	-	-	-	-	-	24 -> 9	r_meas, time
8ys9	open	pass	P 21 21 21	1.35 -> 1.31	15.4 -> 15.3	11.0% -> 13.3%	0.999	0.16	0.173 -> 0.176	0.191 -> 0.188	0.14 -> 0.10	- -> 3.09	-	-	-	-	-	-	31 -> 25	d_min, r_meas
9b22	open	pass	P 1 21 1	1.18 -> 1.14	16.3 -> 16.4	6.0% -> 6.2%	0.999	0.07	0.161 -> 0.159	0.181 -> 0.166	0.20 -> 0.12	- -> 0.14	-	-	-	-	-	-	21 -> 13	d_min, completeness, radial_misfit, rfree
9bn8	open	pass	P 41	1.20 -> 1.21	19.8	7.5% -> 8.1%	0.999 -> 1.000	0.09	0.151	0.172 -> 0.159	0.17 -> 0.11	- -> 3.78	-	-	-	-	-	-	30 -> 21	r_meas, radial_misfit, rfree
9c18	open	pass	P 1	1.76 -> 1.72	10.2 -> 10.9	23.4% -> 26.9%	0.988 -> 0.987	0.61	0.222 -> 0.220	0.221	0.06 -> 0.07	- -> 0.67	-	-	-	-	-	-	13 -> 8	d_min, isa, r_meas
9chw	open	pass	P 61	1.60	20.9 -> 21.5	5.9% -> 5.7%	0.998	0.04	0.180	0.185 -> 0.184	0.13	- -> 1.78	-	-	-	-	-	-	71 -> 22	time
9crw	open	pass	P 1 21 1	2.29 -> 2.28	15.5 -> 15.8	8.7% -> 8.6%	0.999	0.23	0.257 -> 0.247	0.271 -> 0.265	0.14 -> 0.12	- -> 0.70	-	-	-	-	-	-	19 -> 12	rmodel_shell_scaled, rfree
9e2t	open	pass	P 1	2.33 -> 2.29	6.9	28.1% -> 28.5%	0.990 -> 0.992	0.06	0.248 -> 0.229	0.254 -> 0.232	0.11 -> 0.06	- -> 0.42	-	-	-	-	-	-	70 -> 52	rmodel_shell_scaled, radial_misfit, rfree, time
9ea5	open	pass	P 1 21 1	1.64	26.6 -> 26.8	17.9%	0.997	0.85	0.198 -> 0.196	0.203 -> 0.202	0.11	- -> 1.20	-	-	-	-	-	-	96 -> 27	time
9fcf	open	pass	P 4	1.81 -> 1.76	7.8 -> 7.2	28.6% -> 31.6%	0.995	0.04	0.285 -> 0.290	0.293 -> 0.294	0.06	- -> 0.90	-	-	-	-	-	-	142 -> 44	d_min, isa, r_meas, rmodel_shell_scaled, time
9fcg	open	pass	P 4	1.39	9.3 -> 9.7	15.4% -> 14.0%	0.996	0.10	0.179 -> 0.180	0.184 -> 0.189	0.09 -> 0.12	- -> 2.41	-	-	-	-	-	-	138 -> 38	r_meas, time
9fhc	open	pass	I 2 3	1.97 -> 1.92	11.6 -> 12.3	22.4% -> 16.9%	0.995 -> 0.998	0.25	0.245 -> 0.239	0.250 -> 0.244	0.04 -> 0.07	- -> 1.22	-	-	-	-	-	-	104 -> 49	d_min, isa, r_meas, completeness, rmodel_shell_scaled, rfree, time
9gdj	open	pass	P 41 21 2	1.40 -> 1.39	12.8 -> 12.7	10.9% -> 11.2%	0.999	0.16 -> 0.15	0.153 -> 0.154	0.178 -> 0.173	0.24 -> 0.20	- -> 2.90	-	-	-	-	-	-	355 -> 88	rfree, time
9gjx	open	pass	P 1 21 1	2.15 -> 2.06	35.2 -> 40.4	12.5% -> 16.4%	0.999 -> 0.997	0.13	0.188 -> 0.193	0.225 -> 0.224	0.18 -> 0.14	- -> 0.83	-	-	-	-	-	-	33 -> 21	d_min, isa, r_meas, completeness, rmodel_shell_scaled, time
9gqg	open	pass	P 31 2 1	1.82 -> 1.83	13.2 -> 12.9	11.4% -> 11.9%	0.998	0.01	0.233	0.241 -> 0.246	0.11 -> 0.15	- -> 1.53	-	-	-	-	-	-	59 -> 15	rfree, time
9h0q	open	pass	R 3 2:H	2.13 -> 2.10	18.7 -> 18.6	15.4% -> 17.4%	0.998	0.41	0.203 -> 0.205	0.233 -> 0.214	0.18 -> 0.11	- -> 1.10	-	-	-	-	-	-	72 -> 31	r_meas, radial_misfit, rfree, time
9hnc	open	pass -> fail	P 1 2 1 -> P 1 21 1	1.65 -> 1.63	1.4 -> 13.6	52.8% -> 12.8%	0.882 -> 0.998	0.13 -> 0.09	0.461 -> 0.246	0.465 -> 0.255	0.16 -> 0.15	- -> 0.88	-	-	-	-	-	-	80 -> 62	verdict pass->fail, space group, isa, r_meas, cc_half, completeness, rmodel_shell_scaled, rfree
9hs7	open	pass	P 61	1.68	13.3 -> 13.8	11.8% -> 10.9%	0.999	0.08 -> 0.07	0.251 -> 0.212	0.279 -> 0.240	0.58 -> 0.36	- -> 1.36	-	-	-	-	-	-	27 -> 18	r_meas, rmodel_shell_scaled, radial_misfit, rfree
9i0a	open	pass	P 21 21 2	1.81 -> 1.80	13.8 -> 12.2	16.8% -> 19.5%	0.999	0.43 -> 0.45	0.228 -> 0.225	0.239 -> 0.233	0.17 -> 0.10	- -> 1.07	-	-	-	-	-	-	59 -> 45	isa, r_meas, radial_misfit, rfree
9i80	open	pass	P 41	1.61 -> 1.59	6.7 -> 6.8	23.2% -> 25.2%	0.991 -> 0.992	0.07	0.216 -> 0.220	0.221 -> 0.222	0.15 -> 0.12	- -> 1.87	-	-	-	-	-	-	158 -> 36	r_meas, time
9ig7	open	pass	P 21 21 2	2.03 -> 2.02	11.0	18.7% -> 21.5%	0.991	0.17 -> 0.18	0.235 -> 0.231	0.255 -> 0.246	0.18 -> 0.08	- -> 0.82	-	-	-	-	-	-	85 -> 66	r_meas, radial_misfit, rfree
9ih9	open	pass	C 1 2 1	1.41 -> 1.42	12.6 -> 12.9	11.7% -> 10.9%	0.995 -> 0.997	0.21 -> 0.20	0.198 -> 0.195	0.207 -> 0.204	0.09	- -> 1.01	-	-	-	-	-	-	24 -> 15	r_meas
9jzo	open	pass	P 1	1.15	8.4 -> 8.2	9.2% -> 5.7%	0.994 -> 0.997	0.22	0.175 -> 0.179	0.175 -> 0.176	0.08 -> 0.05	- -> 4.44	-	-	-	-	-	-	17 -> 8	r_meas
9khr	open	pass	P 21 21 21	1.38	9.4 -> 9.5	18.9% -> 18.8%	0.994	0.12	0.248 -> 0.244	0.261 -> 0.259	0.11 -> 0.12	- -> 1.97	-	-	-	-	-	-	33 -> 12	time
9mh4	open	pass	P 21 3	2.78	13.8	20.2% -> 20.3%	1.000	0.31	0.229	0.232	0.17 -> 0.15	- -> 1.00	-	-	-	-	-	-	29 -> 15	time
9min	open	fail	P 21 21 2	1.87 -> 1.86	10.4 -> 10.5	26.6% -> 26.5%	0.998 -> 0.999	36.97	0.573 -> 0.566	0.578 -> 0.577	0.20 -> 0.21	- -> 0.00	-	-	-	-	-	-	77 -> 52	rmodel_shell_scaled, time
9o0h	open	pass	P 21 21 21	2.01 -> 2.04	6.1 -> 5.8	52.6% -> 64.3%	0.985 -> 0.983	0.25 -> 0.11	0.247 -> 0.241	0.255 -> 0.253	0.04 -> 0.09	- -> 0.12	-	-	-	-	-	-	64 -> 44	isa, r_meas, rmodel_shell_scaled, radial_misfit, time
9p7q	open	pass	C 1 2 1	1.81 -> 1.76	10.6 -> 11.0	25.7% -> 23.7%	0.988 -> 0.986	0.14	0.270	0.285 -> 0.283	0.03 -> 0.04	- -> 0.86	-	-	-	-	-	-	15 -> 11	d_min, r_meas, completeness
9pbb	open	pass	C 1 2 1	1.83 -> 1.80	14.5 -> 16.2	20.7% -> 22.9%	0.995 -> 0.994	0.15	0.236 -> 0.234	0.236 -> 0.234	0.04 -> 0.03	- -> 0.38	-	-	-	-	-	-	19 -> 15	isa, r_meas
9q41	open	pass	C 2 2 21	1.69 -> 1.68	7.8 -> 7.9	27.3% -> 29.0%	0.984 -> 0.985	0.20	0.187 -> 0.188	0.191 -> 0.194	0.09 -> 0.10	- -> 0.47	-	-	-	-	-	-	57 -> 18	r_meas, time
9q66	open	pass	P 1 21 1	2.04 -> 2.02	13.0 -> 13.1	31.7% -> 32.2%	0.990	0.34	0.204	0.216	0.09 -> 0.08	- -> 0.66	-	-	-	-	-	-	68 -> 22	time
9qw8	open	pass	P 1	1.59 -> 1.70	11.3 -> 9.6	14.6% -> 19.8%	0.994 -> 0.990	0.12 -> 0.46	0.237 -> 0.294	0.248 -> 0.312	0.10 -> 0.15	- -> 0.28	-	-	-	-	-	-	73 -> 30	d_min, isa, r_meas, cell_dev_pct, rmodel_shell_scaled, radial_misfit, rfree, time
9rci	open	pass	P 1	1.82 -> 1.65	6.0 -> 8.3	29.4% -> 19.3%	0.942 -> 0.990	97.59 -> 0.18	0.576 -> 0.247	0.571 -> 0.253	0.09 -> 0.13	- -> 0.55	-	-	-	-	-	-	25 -> 21	lattice, d_min, isa, r_meas, cc_half, completeness, cell_dev_pct, rmodel_shell_scaled, rfree
9rcs	open	pass	P 1 21 1	3.37 -> 3.27	6.0 -> 7.3	24.3% -> 23.1%	0.992 -> 0.994	0.93	0.383 -> 0.317	0.442 -> 0.340	0.19 -> 0.12	- -> 0.35	-	-	-	-	-	-	55 -> 14	d_min, isa, r_meas, rmodel_shell_scaled, radial_misfit, rfree, time
9rp9	open	pass	C 1 2 1	1.91 -> 1.90	28.8 -> 31.8	16.1% -> 15.8%	0.997 -> 0.998	0.16	0.206 -> 0.205	0.224 -> 0.236	0.08 -> 0.15	- -> 2.41	-	-	-	-	-	-	23 -> 19	isa, radial_misfit, rfree
9sl0	open	pass	P 21 21 21	1.38 -> 1.36	20.0 -> 20.2	7.6% -> 8.0%	1.000	0.37 -> 0.35	0.245	0.256 -> 0.255	0.15 -> 0.16	- -> 2.21	-	-	-	-	-	-	50 -> 31	r_meas, time
9t6s	open	pass	P 21 21 21	1.76 -> 1.75	24.9 -> 29.3	10.5% -> 11.0%	0.999	0.06	0.220 -> 0.215	0.236 -> 0.231	0.03	- -> 2.49	-	-	-	-	-	-	28 -> 12	isa, time
9upt	open	pass	P 6	2.03	6.4	25.9% -> 25.0%	0.988 -> 0.989	0.20	0.227 -> 0.219	0.229 -> 0.218	0.08	- -> 1.23	-	-	-	-	-	-	76 -> 19	rmodel_shell_scaled, rfree, time
9vyb	open	pass	P 21 21 21	1.71 -> 1.67	16.7 -> 22.0	8.0% -> 8.2%	1.000 -> 0.999	0.40 -> 0.39	0.245 -> 0.246	0.258 -> 0.253	0.07 -> 0.08	- -> 0.44	-	-	-	-	-	-	41 -> 31	d_min, isa, completeness, rfree
9yl4	open	pass	P 21 21 21	3.61	9.5	32.0% -> 31.7%	0.985 -> 0.996	0.08	0.295 -> 0.293	0.306 -> 0.303	0.07	- -> 5.75	-	-	-	-	-	-	85 -> 21	cc_half, time
9yzk	open	pass	I 1 2 1	3.86	7.8 -> 7.1	29.7% -> 30.9%	0.996	0.20	0.375 -> 0.357	0.394 -> 0.420	0.29 -> 0.38	- -> 0.21	-	-	-	-	-	-	15 -> 10	isa, rmodel_shell_scaled, radial_misfit, rfree
9z44	open	pass	I 1 2 1	6.86 -> 6.84	5.9 -> 9.8	26.6% -> 22.4%	0.953 -> 0.975	1.35 -> 1.43	0.336 -> 0.335	0.325 -> 0.324	0.17	- -> -0.05	-	-	-	-	-	-	32 -> 28	lattice, isa, r_meas, cc_half
9z72	open	pass	P 31 2 1	1.97 -> 1.93	11.8 -> 14.7	76.6% -> 92.2%	0.991 -> 0.990	0.15	0.241 -> 0.244	0.256 -> 0.260	0.06 -> 0.07	- -> 0.74	-	-	-	-	-	-	152 -> 46	d_min, isa, r_meas, time
9zlo	open	pass	P 21 21 21	1.58 -> 1.56	23.0 -> 24.0	12.0% -> 12.1%	0.999	0.39	0.235 -> 0.224	0.241 -> 0.231	0.05 -> 0.06	- -> 1.84	-	-	-	-	-	-	26 -> 18	rmodel_shell_scaled, rfree
9zm0	open	pass	P 1 21 1	1.81 -> 1.78	8.6 -> 9.0	23.7% -> 25.2%	0.996	0.16 -> 0.54	0.262 -> 0.256	0.283 -> 0.274	0.12 -> 0.09	- -> 4.61	-	-	-	-	-	-	11 -> 7	r_meas, cell_dev_pct, rmodel_shell_scaled, rfree
9zmu	open	pass	P 61 2 2	1.71	10.8 -> 11.1	34.0% -> 31.4%	0.999	0.25 -> 0.07	0.276	0.285 -> 0.283	0.17 -> 0.16	- -> 1.28	-	-	-	-	-	-	39 -> 25	r_meas, time
cuhf2	open	unscored	P 2 2 2 -> P 4 2 2	0.52 -> 0.51	3.8 -> 45.2	17.4% -> 2.7%	0.988 -> 1.000	-	-	-	-	-	-	-	-	-	-	-	56 -> 10	space group, isa, r_meas, cc_half, completeness, time
cytidine	open	pass	P 21 21 21	0.58	4.5 -> 8.7	20.6% -> 10.3%	0.980 -> 0.993	0.31	-	-	-	-	-	-	0.1018 -> 0.0613	0.3180 -> 0.1759	1.124 -> 1.061	0.096 -> 0.039	29 -> 10	isa, r_meas, cc_half, SHELXL r1, SHELXL wr2, SHELXL goof, SHELXL exti, time
dnba	open	pass	C 1 2/c 1	0.81	4.3 -> 35.9	16.7% -> 2.5%	0.979 -> 1.000	0.06	-	-	-	-	-	-	0.0607 -> 0.0267	0.1531 -> 0.0708	1.036 -> 1.071	0.004 -> 0.002	10 -> 5	isa, r_meas, cc_half, SHELXL r1, SHELXL wr2, SHELXL goof
lalanine	open	pass	P 21 21 21	0.65	7.5 -> 40.7	12.1% -> 2.5%	0.994 -> 1.000	0.07	-	-	-	-	-	-	0.0759 -> 0.0309	0.2201 -> 0.0922	1.147 -> 1.149	0.027 -> 0.000	14 -> 8	isa, r_meas, cc_half, SHELXL r1, SHELXL wr2, SHELXL exti
metformin	open	pass	P 1 21/c 1	0.51	13.6 -> 31.1	6.4% -> 3.1%	0.998 -> 1.000	0.17	-	-	-	-	-	-	0.0527 -> 0.0323	0.1569 -> 0.0959	1.073 -> 1.103	0.000	8 -> 3	isa, r_meas, SHELXL r1, SHELXL wr2, SHELXL goof
nidppe	open	pass	P 1 21/c 1	0.51	25.6 -> 32.9	8.2% -> 7.9%	0.998 -> 0.999	0.28	-	-	-	-	-	-	0.0441 -> 0.0414	0.1171 -> 0.1021	1.046 -> 1.035	0.006 -> 0.004	9 -> 4	isa, SHELXL wr2
aspirin_x10sa_20keV	inhouse	- -> pass	- -> P 1 21/c 1	- -> 0.66	- -> 36.4	- -> 3.0%	- -> 1.000	- -> 0.05	-	-	-	-	- -> 3.0%	- -> 2.2%	- -> 0.0370	- -> 0.1152	- -> 1.125	- -> 0.009	- -> 7	only in B
aspirin_x10sa_25keV	inhouse	- -> pass	- -> P 1 21/c 1	- -> 0.53	- -> 36.7	- -> 3.1%	- -> 1.000	- -> 0.05	-	-	-	-	- -> 3.1%	- -> 2.2%	- -> 0.0358	- -> 0.1167	- -> 1.079	- -> 0.013	- -> 8	only in B
citricacid_x10sa_20keV	inhouse	- -> pass	- -> P 1 21/c 1	- -> 0.67	- -> 24.1	- -> 3.5%	- -> 0.999	- -> 0.10	-	-	-	-	- -> 3.5%	- -> 3.8%	- -> 0.0375	- -> 0.1029	- -> 1.087	- -> 0.140	- -> 8	only in B
hepes_x10sa_20keV	inhouse	- -> pass	- -> P b c a	- -> 0.66	- -> 38.7	- -> 2.6%	- -> 0.999	- -> 0.07	-	-	-	-	- -> 2.6%	- -> 3.5%	- -> 0.0315	- -> 0.0907	- -> 1.070	- -> 0.049	- -> 10	only in B
kdp_x10sa_20keV	inhouse	- -> fail	- -> I 41 m d	- -> 0.66	- -> 24.1	- -> 5.2%	- -> 0.999	- -> 0.07	-	-	-	-	- -> 5.0%	- -> 4.6%	- -> 0.0475	- -> 0.1213	- -> 1.391	- -> 0.028	- -> 19	only in B
lcystine_x10sa_20keV	inhouse	- -> pass	- -> P 61 2 2	- -> 0.66	- -> 5.1	- -> 39.5%	- -> 1.000	- -> 0.48	-	-	-	-	-	-	- -> 0.1078	- -> 0.2854	- -> 1.112	- -> 0.000	- -> 17	only in B
lcystine_x10sa_25keV	inhouse	- -> pass	- -> P 61 2 2	- -> 0.53	- -> 5.3	- -> 26.2%	- -> 1.000	- -> 0.52	-	-	-	-	-	-	- -> 0.1440	- -> 0.4009	- -> 1.513	- -> 0.000	- -> 14	only in B
yag_x10sa_20keV	inhouse	- -> pass	- -> I a -3 d	- -> 0.67	- -> 2.8	- -> 41.2%	- -> 0.697	- -> 0.03	-	-	-	-	- -> 41.2%	- -> 46.1%	- -> 0.0970	- -> 0.2338	- -> 1.112	- -> 0.548	- -> 13	only in B
2wnn	open	- -> pass	- -> P 1 21 1	- -> 1.44	- -> 14.2	- -> 7.1%	- -> 0.997	- -> 0.11	- -> 0.279	- -> 0.286	- -> 0.18	- -> 1.01	-	-	-	-	-	-	- -> 22	only in B
2wnq	open	- -> fail	- -> C 2 2 21	- -> 1.66	- -> 10.3	- -> 10.8%	- -> 0.997	- -> 68.58	- -> 0.535	- -> 0.541	- -> 0.28	- -> -0.04	-	-	-	-	-	-	- -> 28	only in B
2wnz	open	- -> pass	- -> P 1 21 1	- -> 1.84	- -> 14.7	- -> 12.3%	- -> 0.996	- -> 0.13	- -> 0.207	- -> 0.233	- -> 0.23	- -> 0.91	-	-	-	-	-	-	- -> 27	only in B
2xfw	open	- -> pass	- -> P 1 21 1	- -> 1.56	- -> 14.3	- -> 14.3%	- -> 0.996	- -> 0.13	- -> 0.200	- -> 0.221	- -> 0.17	- -> 1.08	-	-	-	-	-	-	- -> 58	only in B
2ygz	open	- -> fail	- -> C 2 2 21	- -> 1.71	- -> 4.4	- -> 26.1%	- -> 0.993	- -> 39.58	-	-	-	-	-	-	-	-	-	-	- -> 39	only in B
3mc4	open	- -> pass	- -> R 3:H	- -> 1.79	- -> 12.4	- -> 10.1%	- -> 0.994	- -> 0.06	- -> 0.253	- -> 0.257	- -> 0.08	- -> 1.42	-	-	-	-	-	-	- -> 9	only in B
3meb	open	- -> pass	- -> P 1 21 1	- -> 1.53	- -> 14.6	- -> 11.9%	- -> 0.993	- -> 0.71	- -> 0.198	- -> 0.200	- -> 0.54	- -> 0.30	-	-	-	-	-	-	- -> 9	only in B
3p85	open	- -> pass	- -> P 63 2 2	- -> 1.62	- -> 8.1	- -> 12.1%	- -> 0.998	- -> 0.51	- -> 0.194	- -> 0.201	- -> 0.12	- -> 7.78	-	-	-	-	-	-	- -> 8	only in B
3r6o	open	- -> fail	- -> I 41 2 2	- -> 1.53	- -> 4.4	- -> 19.5%	- -> 0.984	- -> 0.57	- -> 0.302	- -> 0.308	- -> 0.62	- -> 1.35	-	-	-	-	-	-	- -> 5	only in B
4bwl	open	- -> fail	- -> C 2 2 21	- -> 1.68	- -> 14.4	- -> 14.0%	- -> 0.998	- -> 72.04	- -> 0.522	- -> 0.521	- -> 0.14	- -> 0.11	-	-	-	-	-	-	- -> 20	only in B
5cc8	open	- -> fail	- -> P 21 21 21	- -> 1.53	- -> 11.3	- -> 8.0%	- -> 0.997	- -> 0.06	- -> 0.171	- -> 0.184	- -> 0.17	- -> 4.04	-	-	-	-	-	-	- -> 10	only in B
5jk4	open	- -> pass	- -> P 1 21 1	- -> 1.06	- -> 14.9	- -> 8.8%	- -> 0.786	- -> 0.17	- -> 0.106	- -> 0.120	- -> 0.08	- -> 3.78	-	-	-	-	-	-	- -> 11	only in B
5ojv	open	- -> pass	- -> P 21 21 2	- -> 1.81	- -> 13.2	- -> 14.7%	- -> 0.998	- -> 0.41	- -> 0.174	- -> 0.185	- -> 0.14	- -> 2.01	-	-	-	-	-	-	- -> 33	only in B
5uth	open	- -> pass	- -> P 31 2 1	- -> 1.72	- -> 9.6	- -> 12.4%	- -> 0.997	- -> 0.21	- -> 0.194	- -> 0.217	- -> 0.17	- -> 2.87	-	-	-	-	-	-	- -> 8	only in B
5vml	open	- -> pass	- -> P 42 21 2	- -> 1.92	- -> 10.9	- -> 10.1%	- -> 0.996	- -> 0.02	- -> 0.156	- -> 0.165	- -> 0.05	- -> 3.44	-	-	-	-	-	-	- -> 5	only in B
6cee	open	- -> pass	- -> P 21 21 21	- -> 1.38	- -> 23.1	- -> 5.5%	- -> 0.999	- -> 0.06	- -> 0.166	- -> 0.177	- -> 0.17	- -> 9.19	-	-	-	-	-	-	- -> 7	only in B
6cs9	open	- -> pass	- -> P 1 21 1	- -> 1.72	- -> 13.1	- -> 9.8%	- -> 0.998	- -> 0.06	- -> 0.211	- -> 0.207	- -> 0.14	- -> 0.76	-	-	-	-	-	-	- -> 9	only in B
6gvk	open	- -> pass	- -> C 1 2 1	- -> 1.42	- -> 19.9	- -> 5.2%	- -> 0.999	- -> 0.08	- -> 0.201	- -> 0.214	- -> 0.18	- -> 1.88	-	-	-	-	-	-	- -> 20	only in B
6oww	open	- -> fail	- -> P 41 21 2	- -> 2.72	- -> 11.8	- -> 201.5%	- -> 0.994	- -> 0.19	- -> 0.361	- -> 0.373	- -> 0.09	- -> 2.04	-	-	-	-	-	-	- -> 40	only in B
6p8j	open	- -> fail	- -> P 21 21 2	- -> 1.28	- -> 5.4	- -> 23.7%	- -> 0.990	- -> 0.33	- -> 0.249	- -> 0.254	- -> 0.09	- -> 1.29	-	-	-	-	-	-	- -> 64	only in B
6rym	open	- -> pass	- -> P 41	- -> 1.45	- -> 22.6	- -> 4.2%	- -> 0.998	- -> 0.14	- -> 0.170	- -> 0.190	- -> 0.24	- -> 13.73	-	-	-	-	-	-	- -> 19	only in B
6v2r	open	- -> pass	- -> P 41 21 2	- -> 1.38	- -> 24.5	- -> 5.2%	- -> 1.000	- -> 0.02	- -> 0.205	- -> 0.210	- -> 0.21	- -> 12.92	-	-	-	-	-	-	- -> 7	only in B
7bgu	open	- -> pass	- -> P 1	- -> 2.30	- -> 10.0	- -> 12.6%	- -> 0.938	- -> 0.17	- -> 0.285	- -> 0.303	- -> 0.13	- -> 0.28	-	-	-	-	-	-	- -> 7	only in B
7q6j	open	- -> pass	- -> P 21 21 21	- -> 2.00	- -> 11.0	- -> 14.4%	- -> 0.996	- -> 0.25	- -> 0.224	- -> 0.235	- -> 0.14	- -> 1.67	-	-	-	-	-	-	- -> 22	only in B
8c3e	open	- -> fail	- -> P 6 2 2	- -> 1.78	- -> 5.6	- -> 29.2%	- -> 0.979	- -> 0.24	- -> 0.359	- -> 0.391	- -> 0.22	- -> 1.46	-	-	-	-	-	-	- -> 3	only in B
8v2t	open	- -> pass	- -> P 42 21 2	- -> 1.19	- -> 11.9	- -> 9.1%	- -> 0.999	- -> 0.35	- -> 0.166	- -> 0.182	- -> 0.20	- -> 10.66	-	-	-	-	-	-	- -> 13	only in B
8v4j	open	- -> pass	- -> P 42 21 2	- -> 1.10	- -> 21.9	- -> 5.5%	- -> 1.000	- -> 0.09	- -> 0.170	- -> 0.176	- -> 0.11	- -> 12.41	-	-	-	-	-	-	- -> 21	only in B
9jq9	open	- -> pass	- -> P 21 21 21	- -> 1.65	- -> 19.3	- -> 6.9%	- -> 0.999	- -> 0.15	- -> 0.212	- -> 0.242	- -> 0.15	- -> 4.88	-	-	-	-	-	-	- -> 5	only in B
9lxl	open	- -> pass	- -> P 41 21 2	- -> 2.06	- -> 6.2	- -> 41.9%	- -> 0.996	- -> 0.49	- -> 0.306	- -> 0.321	- -> 0.10	- -> 0.69	-	-	-	-	-	-	- -> 19	only in B
9qvv	open	- -> pass	- -> I 2 2 2	- -> 2.49	- -> 37.5	- -> 11.1%	- -> 1.000	- -> 0.42	- -> 0.236	- -> 0.241	- -> 0.18	- -> 1.67	-	-	-	-	-	-	- -> 17	only in B
9qw2	open	- -> pass	- -> P 1 21 1	- -> 1.74	- -> 7.8	- -> 18.8%	- -> 0.959	- -> 0.77	- -> 0.242	- -> 0.246	- -> 0.04	- -> 0.60	-	-	-	-	-	-	- -> 21	only in B
9s02	open	- -> pass	- -> P 21 21 2	- -> 1.42	- -> 26.0	- -> 10.3%	- -> 0.999	- -> 0.06	- -> 0.180	- -> 0.188	- -> 0.10	- -> 2.25	-	-	-	-	-	-	- -> 43	only in B

157 KiB Raw Blame History