Jungfraujoch/docs/BATTERY_REPORT.md

Rugnux battery - 20261005-2102_3770f4_rc174-final-refmac

• rugnux 1.0.0-rc.174, sha256 fee1c90710c43704, build flags: Release CXX_FLAGS='-march=x86-64-v3' CUDA=ON
• runner 3770f42c9, host mpc2898.psi.ch, 2026-10-05T21:02:33 -> 2026-10-06T06:58:55
• 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; 249 sets (full arm)
• timing: NOT a reference - the GPU was shared
• command options: (none beyond output selection)
• command, open arm: rugnux --model <deposited coordinates> <input> (without --model where there is no deposited model: small molecules, unpublished sets)
• command, inhouse arm: rugnux --report-resolution <XDS d_min>,<XDS d_max> [--model <reference model>] <input>: the second statistics table at XDS's range is report-only; where XDS kept Friedel mates apart the scorer reads the run's own per-hand table, which needs no flag. --model where the set names a PDB entry of its crystal form (the standard proteins)

Commentary

This is the validation battery of release 1.0.0-rc.174 (the binary built from 3770f42c9 with the CI flags), run once per set with the REFMAC model check, against the rc.173 battery as baseline. 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.

• Verdicts. Open arm 188 pass / 11 fail / 3 not scored over 202 sets, in-house 46 / 1 over 47. Every failure was known before this run. Seven are point groups called too high on twinned or pseudo-symmetric crystals (2wnq, 4bwl, 5ebi, 6oww, 6p8j, 8c3e, 3r6o), two are screw axes (5cc8, 9hnc), two are halved lattices (6z9g, 9min), and KDP is scored against I-42d while Rugnux reports the group with the same absences, I4_1md. On the 171 open sets both runs have, 164 of 168 scored pass against 166 of 169 at rc.173 (5ebi and 9hnc lost, 7mzt now not scored); the in-house sets both runs have all pass. The 31 open sets added since rc.173 (twinned crystals, home-source and other facilities) carry most of the failures.
• R-free. 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 (rc.173: 154 of 159). On the 160 structures both runs scored, the median change is -0.001, 33 better and 15 worse by more than 0.005. Two losses are worth a look: 9qw8 (0.264 to 0.338, with a coarser resolution cut, 1.71 against 1.59 A) and 9i80 (0.234 to 0.279 at the same resolution, a twinned P4_1 crystal).
• Resolution. Rugnux's own cut is finer than the deposited one on 173 of 184 structures.
• Processing time. The median over all 249 sets is 28 s (open arm 33 s, rc.173 44 s); on the sets both runs have, the median time ratio is 0.88 on the open arm and 0.78 on the in-house arm. The battery times include reading the images from disk, so they understate the gain in computation. The in-house arm alone (standard proteins, small molecules and the two no-crystal controls; the proteins now also run the model check) has a median of 13.7 s against 17.4 s at rc.173; its slowest sets are KDP (93 s), L-cystine at 20 keV (57 s) and the two controls (44-48 s), which search for a lattice that is not there. The header line "the GPU was shared" only records that the run used --gpulock; no set saw another process on the GPU.
• Small molecules. SHELXL R1 against the published structures is at or below XDS on the organic sets (aspirin 0.036, citric acid 0.037, HEPES 0.031) and well below it on KDP (0.048 against 0.112); YAG (0.102) and L-cystine (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	202	188	5	11	3	0	188/199 (94%)	+12.1%	13.6	13.8%	33	176.2
inhouse	47	46	0	1	0	0	46/47 (98%)	+6.3%	21.8	9.8%	14	14.0

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%)	+11.2%
open	cbf	97	90/95 (95%)	+12.2%
open	cdte	3	3/3 (100%)	+5.1%
open	cubic	13	13/13 (100%)	+14.7%
open	diffuse	4	4/4 (100%)	+9.9%
open	h5	57	56/57 (98%)	+12.6%
open	hexagonal	16	15/15 (100%)	+13.9%
open	home-source	11	8/11 (73%)	+13.2%
open	long-axis	2	2/2 (100%)	+16.2%
open	long-wavelength	1	1/1 (100%)	-
open	low-resolution	1	1/1 (100%)	-8.8%
open	marCCD	15	14/15 (93%)	+12.4%
open	marccd	8	8/8 (100%)	+11.5%
open	monoclinic	49	43/49 (88%)	+12.1%
open	nxs	2	1/1 (100%)	+8.5%
open	orthorhombic	48	45/47 (96%)	+12.0%
open	pseudo-merohedral	4	2/4 (50%)	+10.3%
open	pseudo-symmetry	7	5/7 (71%)	+9.9%
open	small-molecule	6	5/5 (100%)	-12.9%
open	smv	21	17/21 (81%)	+10.9%
open	tetragonal	24	23/24 (96%)	+10.3%
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	14	10/14 (71%)	+10.6%
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%)	+6.3%
inhouse	hexagonal	2	2/2 (100%)	-
inhouse	insulin	9	9/9 (100%)	+5.2%
inhouse	iodine	2	2/2 (100%)	+16.9%
inhouse	long-wavelength	7	7/7 (100%)	+1.1%
inhouse	lysozyme	12	12/12 (100%)	+6.7%
inhouse	monoclinic	3	3/3 (100%)	+2.6%
inhouse	myoglobin	6	6/6 (100%)	-2.8%
inhouse	orthorhombic	1	1/1 (100%)	+2.6%
inhouse	pink-beam	3	3/3 (100%)	+16.1%
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%)	-22.9%

Distributions (sets that merged, controls left out)

arm	metric	n	min	q1	median	q3	max
open	ISa	202	4.1	9.5	13.6	19.8	45.5
open	R_meas	202	2.5%	8.8%	13.8%	22.2%	366.1%
open	CC1/2	202	0.917	0.994	0.998	0.999	1.000
open	res. gain %	198	-68.3	+8.1	+12.1	+16.8	+34.3
open	low-res shell R_meas	202	1.7%	4.1%	5.5%	8.2%	33.8%
open	R_model, shell-scaled	196	0.096	0.180	0.209	0.247	0.580
open	R_free (placement, within-run only)	196	0.121	0.188	0.218	0.255	0.575
open	radial misfit	196	0.03	0.09	0.12	0.16	1.10
open	R_free ratio	196	0.813	0.961	1.030	1.118	3.380
open	anomalous map at the scatterers, sigma	196	-3.42	0.70	1.51	3.51	29.13
open	REFMAC R_free ratio	192	0.807	0.981	0.998	1.027	1.393
open	dCC vs depositor, all	193	-0.317	-0.018	-0.004	+0.003	+0.194
open	dCC vs depositor, outer 2 shells	193	-0.664	-0.032	-0.000	+0.030	+0.318
open	CC(Fc^2) past the deposited limit	178	-0.013	0.229	0.297	0.367	0.926
open	time s	202	5	18	33	71	401
inhouse	ISa	44	1.9	7.7	21.8	32.9	53.4
inhouse	R_meas	45	2.6%	6.3%	9.8%	25.2%	125.6%
inhouse	CC1/2	45	0.702	0.998	0.999	1.000	1.000
inhouse	res. gain %	43	-42.2	+1.8	+6.3	+11.1	+21.5
inhouse	ref-range ISa / XDS	43	0.209	0.838	1.104	1.264	6.410
inhouse	ref-range R_meas / XDS	43	0.207	0.838	0.942	1.054	2.123
inhouse	low-res shell R_meas	45	2.2%	3.7%	4.8%	9.3%	41.8%
inhouse	ref-range low-res R_meas / XDS	43	0.273	0.871	1.021	1.149	2.681
inhouse	ref-range CC1/2 noise / XDS	43	0.03	0.33	0.54	0.80	8.58
inhouse	R_model, shell-scaled	37	0.183	0.227	0.253	0.287	0.520
inhouse	R_free (placement, within-run only)	37	0.175	0.234	0.287	0.325	0.572
inhouse	radial misfit	37	0.02	0.07	0.10	0.18	0.27
inhouse	R_free ratio	37	0.940	1.226	1.531	1.724	2.624
inhouse	anomalous map at the scatterers, sigma	37	0.35	1.45	3.11	6.19	11.50
inhouse	time s	45	5	9	13	18	93

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

Plot in report.html: REFMAC check (--model-check): R_free of the deposited model against our merge / against the deposited structure factors, both on the depositor's free set with the same protocol, one point per set, sorted; below 1 = our data fit the model better

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	16829	-0.314	-0.664	0.076	1.54	1.393	4.5	smv, tetragonal, home-source
2wnq	F	1.65	1.80	101895	-0.148	-0.626	0.039	1.65	1.066	10.3	smv, monoclinic, twin, pseudo-merohedral
4bwl	F	1.68	2.00	72820	-0.317	-0.520	0.117	1.67	1.030	14.3	smv, monoclinic, twin, pseudo-merohedral
2xfw	F	1.55	1.65	147572	-0.127	-0.515	0.258	1.55	1.158	14.1	smv, monoclinic, twin, pseudo-merohedral
3p85	F	1.62	1.90	24299	-0.162	-0.404	0.261	1.62	0.879	8.1	smv, hexagonal, home-source
2wnz	F	1.85	1.85	96083	-0.106	-0.396	-	-	1.113	14.8	smv, monoclinic, pseudo-symmetry
9qw2	F	1.76	1.92	43869	-0.172	-0.360	0.234	1.75	1.185	7.8	cbf, monoclinic, pseudo-symmetry
2wnn	F	1.44	1.65	123469	-0.055	-0.351	0.204	1.44	0.807	14.1	smv, monoclinic, twin, pseudo-merohedral
3mc4	F	1.79	1.95	24530	-0.161	-0.333	0.280	1.79	1.365	12.5	smv, trigonal, home-source
9qw8	I	1.71	1.80	38358	-0.192	-0.326	0.192	1.70	1.272	9.2	h5, triclinic
9lxl	I	2.06	2.19	18039	-0.277	-0.270	0.068	2.05	1.058	6.2	h5, tetragonal
7bgu	I	2.30	2.43	14571	-0.094	-0.246	0.009	2.30	1.140	10.0	marCCD, triclinic
9hnc	F	1.63	1.88	404705	-0.062	-0.237	0.376	1.63	0.923	13.6	cbf, monoclinic
6yqf	I	3.02	3.33	933	-0.134	-0.233	0.015	3.01	1.001	4.2	cbf, orthorhombic
6r72	F	4.39	3.95	18989	-0.092	-0.232	-	-	1.038	17.9	h5, monoclinic
9rcs	I	3.27	3.01	2052	-0.208	-0.171	-	-	0.928	7.3	h5, monoclinic, cdte
6zqy	F	1.70	1.85	47653	-0.029	-0.144	0.242	1.70	1.071	12.7	smv
5ky6	F	1.54	1.94	98442	-0.074	-0.142	0.159	1.54	1.076	6.1	marccd
8qq7	I	3.16	3.62	5507	-0.104	-0.107	-0.013	3.15	1.065	6.4	cbf, hexagonal
8k1g	F	1.63	2.09	34025	-0.077	-0.107	0.281	1.62	0.974	11.7	cbf, tetragonal
3meb	F	1.53	1.90	35703	-0.026	-0.107	0.330	1.54	0.993	15.6	smv, monoclinic, home-source
7arr	I	0.92	1.10	47848	-0.036	-0.103	0.293	0.92	1.016	18.9	cbf, triclinic
6zqr	F	1.76	1.93	37169	-0.051	-0.098	0.297	1.76	1.064	9.1	smv
6u7g	I	1.88	2.35	87246	-0.055	-0.097	0.243	1.88	0.980	13.3	h5, monoclinic
5epe	F	1.77	1.90	22792	-0.015	-0.093	0.322	1.77	1.039	9.9	marCCD, cubic
9pbb	I	1.78	2.16	11031	-0.048	-0.087	0.160	1.78	0.980	17.0	cbf, monoclinic
9hs7	F	1.70	1.70	9595	-0.131	-0.083	-0.008	1.69	0.958	13.3	cbf, hexagonal
8c3e	I	1.79	2.10	4079	-0.038	-0.076	0.162	1.80	1.031	5.8	cbf, trigonal, home-source, twin
6jgh	I	0.87	0.94	139810	-0.014	-0.070	0.333	0.87	1.069	6.6	marccd
6qaj	I	2.70	2.63	4163	-0.132	-0.069	-	-	0.951	13.2	cbf
5f6m	I	1.09	1.10	68757	-0.006	-0.059	0.364	1.09	1.032	23.0	cbf, orthorhombic, diffuse
7tcd	I	1.65	1.70	27140	-0.043	-0.057	0.083	1.65	0.968	18.4	h5, monoclinic
7os3	I	1.96	2.18	32881	-0.004	-0.054	0.355	1.96	0.985	24.4	cbf, orthorhombic
5t39	I	1.01	1.10	92595	-0.010	-0.053	0.400	1.01	1.003	16.2	marccd
6cdl	I	1.13	1.24	56384	-0.008	-0.051	0.353	1.13	1.039	11.6	marccd
8dyz	I	1.14	1.27	24752	-0.007	-0.050	0.625	1.14	0.958	37.8	cbf, tetragonal, diffuse
6oww	F	2.72	3.84	3373	+0.031	-0.049	0.053	2.71	0.938	11.8	cbf, monoclinic, pseudo-symmetry
9upt	F	2.03	2.37	24477	-0.036	-0.046	0.324	2.03	1.056	6.5	SMV, hexagonal
6z8o	F	2.21	2.20	22416	-0.136	-0.045	-	-	1.043	13.9	h5, monoclinic
9b22	I	1.14	1.30	96597	-0.014	-0.044	0.422	1.14	1.007	16.4	h5, monoclinic
7brr	I	1.24	1.40	102801	-0.023	-0.041	0.274	1.25	0.981	16.6	h5, monoclinic
5vml	F	1.92	1.70	14226	-0.015	-0.038	-	-	1.053	10.9	smv, tetragonal, home-source
9p7q	I	1.76	2.21	11981	-0.031	-0.037	0.282	1.76	1.017	10.8	cbf, monoclinic
7raa	I	2.58	2.69	7523	-0.065	-0.036	0.046	2.58	0.990	11.0	cbf
8a1a	F	1.93	2.05	101602	-0.009	-0.036	0.355	1.94	0.991	18.8	h5, hexagonal
5reo	F	1.65	1.88	18392	-0.026	-0.036	0.338	1.65	0.991	23.7	cbf, monoclinic
5m17	I	0.98	1.03	185105	-0.006	-0.034	0.311	0.98	1.024	16.2	cbf, tetragonal
8y74	F	1.68	1.90	58040	-0.010	-0.032	0.288	1.69	0.962	8.6	h5, monoclinic
6s1u	I	1.75	1.90	17747	-0.003	-0.031	0.344	1.75	0.975	13.8	marccd
9qvv	I	2.49	2.72	16358	-0.014	-0.030	0.141	2.50	0.947	37.3	nxs, orthorhombic, pseudo-symmetry
7atg	I	0.60	0.60	54556	-0.004	-0.026	-	-	-	22.9	cbf, orthorhombic
5lzl	F	2.86	3.47	21840	-0.014	-0.026	0.231	2.87	1.027	15.2	cbf, trigonal
9zlo	I	1.56	2.00	22408	-0.011	-0.024	0.242	1.56	1.011	24.1	h5, orthorhombic
9fhc	F	1.92	2.20	76515	-0.002	-0.024	0.353	1.92	1.042	12.3	marCCD, cubic
6iu8	I	2.32	2.70	15286	+0.004	-0.024	0.175	2.32	0.984	8.1	cbf, trigonal
8r5r	F	2.80	3.08	12960	-0.032	-0.024	0.211	2.80	1.003	19.3	h5, orthorhombic
6oel	I	2.85	3.10	13233	-0.013	-0.024	0.272	2.85	0.965	9.9	SMV, cubic
9yl4	I	3.61	3.70	1130	-0.010	-0.023	0.175	3.61	0.987	9.5	cbf, orthorhombic
9gdj	I	1.40	1.47	157444	-0.007	-0.023	0.299	1.40	1.021	12.9	h5, tetragonal, cdte
8agq	I	0.97	1.09	98576	-0.013	-0.022	0.298	0.97	1.153	14.1	cbf, monoclinic
9ih9	F	1.40	1.70	78425	-0.005	-0.021	0.381	1.40	1.007	12.7	h5, monoclinic
9q66	F	2.03	2.01	87912	-0.017	-0.021	-	-	1.017	13.1	h5, monoclinic
7mzt	I	3.12	4.05	8489	-0.074	-0.020	0.083	3.11	0.991	4.1	cbf, orthorhombic
9zm0	I	1.80	2.10	13858	-0.014	-0.020	0.115	1.80	0.984	9.0	h5, monoclinic
7kcn	I	1.39	1.46	43289	-0.011	-0.020	0.569	1.39	1.055	11.7	cbf, tetragonal
6ze4	I	1.30	1.60	136778	-0.054	-0.020	0.323	1.29	1.040	9.3	cbf, orthorhombic
9e2t	I	2.29	2.28	32088	-0.110	-0.019	-	-	0.980	6.8	cbf, triclinic
9gjx	I	2.06	2.40	52052	-0.001	-0.019	0.268	2.06	1.033	40.1	h5, monoclinic
7q6j	I	1.98	2.20	41720	+0.005	-0.019	0.215	1.98	0.996	11.0	cbf, orthorhombic, pseudo-symmetry
6fvz	F	1.49	1.80	105993	-0.019	-0.018	0.386	1.50	0.998	20.5	cbf, orthorhombic
6ttn	I	1.08	1.12	126153	-0.001	-0.018	0.223	1.08	1.020	14.5	cbf, orthorhombic
6iu5	I	2.12	2.25	30820	-0.010	-0.018	0.231	2.12	1.008	8.0	cbf, trigonal, twin
7n2s	I	2.56	2.37	10827	-0.009	-0.018	-	-	0.968	9.6	cbf, monoclinic
6fid	F	1.98	2.20	10527	-0.005	-0.018	0.819	1.97	0.977	13.6	cbf, orthorhombic
6p8p	I	1.46	1.64	64791	-0.015	-0.017	0.289	1.45	1.036	15.5	cbf, tetragonal
6iu6	I	2.36	2.90	10758	+0.003	-0.016	0.252	2.36	1.063	7.2	cbf, trigonal, twin
6w75	F	1.69	1.95	99979	-0.010	-0.016	0.320	1.69	0.991	15.8	marccd
9h0q	I	2.10	2.55	45699	-0.005	-0.016	0.343	2.11	0.980	18.6	h5
6h5t	F	1.48	1.69	28184	-0.007	-0.015	0.356	1.48	1.057	9.3	marCCD, tetragonal
9crw	I	2.28	2.49	53873	-0.021	-0.014	0.130	2.28	1.010	15.8	h5, monoclinic
6rlr	I	1.92	2.00	19974	+0.002	-0.014	0.189	1.92	1.022	16.4	h5, triclinic, twin
5uth	F	1.72	1.95	27663	-0.015	-0.012	0.436	1.73	1.009	9.5	smv, trigonal, home-source
6w4h	F	1.62	1.80	70331	-0.003	-0.012	0.419	1.62	0.996	18.5	marCCD, trigonal
9jq9	I	1.65	1.90	13865	+0.001	-0.011	0.509	1.65	1.005	19.5	cbf, orthorhombic, home-source
6rym	I	1.45	1.46	17018	-0.005	-0.009	-	-	1.022	22.9	smv, tetragonal
6hv2	F	1.41	1.71	19192	-0.035	-0.008	0.102	1.41	0.829	13.7	h5, hexagonal
8dz7	I	1.19	1.34	13603	-0.002	-0.008	0.809	1.19	1.009	35.1	cbf, orthorhombic, diffuse
9chw	I	1.60	2.16	20358	-0.005	-0.008	0.648	1.60	1.006	21.3	marCCD, hexagonal
7l84	I	1.70	1.71	11375	-0.001	-0.008	-	-	0.976	11.4	cbf, tetragonal
5mln	F	1.26	1.59	60800	-0.012	-0.007	0.409	1.26	1.017	21.5	cbf
5ojv	I	1.82	2.06	63705	-0.030	-0.005	0.267	1.82	0.998	13.2	cbf, orthorhombic, pseudo-symmetry
6pxb	I	1.39	1.75	50825	+0.008	-0.005	0.097	1.40	0.991	12.1	cbf, trigonal
7ris	I	1.51	1.72	22161	-0.001	-0.004	0.221	1.51	0.987	31.0	h5, trigonal
6o2h	I	1.10	1.21	11612	-0.002	-0.003	0.926	1.10	1.157	23.9	cbf, triclinic, diffuse
8xtf	I	1.84	2.13	27230	+0.000	-0.003	0.420	1.83	0.956	7.6	h5, trigonal
7l6j	F	1.51	1.78	37485	-0.002	-0.001	0.414	1.51	1.013	10.5	marCCD, cubic
7bgt	I	1.78	1.93	33462	-0.003	-0.000	0.308	1.79	0.999	17.4	marCCD, triclinic
9sl0	I	1.36	1.60	67358	+0.002	+0.001	0.243	1.37	0.996	20.2	h5, orthorhombic
6cee	I	1.38	1.55	14202	-0.001	+0.001	0.678	1.38	0.993	23.9	smv, orthorhombic, home-source
3ky7	F	1.92	2.35	11401	+0.002	+0.001	0.182	1.92	0.992	12.2	marCCD, cubic
6i3j	I	2.32	2.59	34974	-0.006	+0.002	0.366	2.32	1.154	6.8	marCCD, orthorhombic
8tyy	I	1.28	1.68	44790	-0.001	+0.002	0.476	1.28	0.989	16.3	cbf, cubic
9i80	I	1.59	1.95	68449	-0.011	+0.002	0.351	1.59	1.024	6.8	h5, tetragonal, twin
3inp	I	1.70	2.05	26251	-0.005	+0.003	0.276	1.70	0.984	13.2	marCCD, cubic
8sqt	I	1.88	2.20	9296	-0.011	+0.004	0.320	1.88	1.044	29.9	h5, cubic
6wzo	I	1.04	1.42	91585	-0.010	+0.004	0.355	1.04	0.965	16.8	cbf, triclinic
6vww	F	1.99	2.20	58979	-0.003	+0.004	0.345	1.98	1.025	8.0	cbf, hexagonal, twin
6zr0	F	1.66	1.94	40650	-0.006	+0.005	0.345	1.65	1.014	24.5	cbf
9mh4	I	2.78	3.05	9490	+0.006	+0.005	0.206	2.79	1.017	13.8	h5, cubic
8dqb	I	2.05	2.50	19165	-0.002	+0.006	0.382	2.05	1.005	22.1	h5, cubic
6nen	I	1.77	2.15	10259	+0.003	+0.007	0.363	1.77	1.008	6.3	smv
6gvk	I	1.42	1.55	32916	+0.002	+0.007	0.227	1.42	0.989	19.8	cbf, monoclinic
8v4j	I	1.10	1.30	41379	+0.001	+0.008	0.580	1.10	0.983	22.1	smv, tetragonal
9zmu	I	1.72	1.98	21684	-0.002	+0.009	0.189	1.71	0.997	11.6	h5, hexagonal
6v2r	I	1.38	1.57	9330	-0.000	+0.009	0.458	1.38	0.996	24.4	smv, tetragonal, home-source
6cs9	I	1.72	1.85	5090	-0.000	+0.010	0.328	1.72	1.018	13.1	smv, monoclinic
9vyb	I	1.67	2.12	5191	-0.007	+0.012	0.352	1.68	0.995	22.1	h5, orthorhombic
7yzx	F	1.88	1.90	83105	-0.031	+0.013	0.319	1.88	1.025	10.4	cbf, hexagonal
8v2t	I	1.17	1.40	33174	+0.001	+0.014	0.369	1.16	0.975	11.9	cbf, tetragonal
9gqg	I	1.81	2.00	15522	-0.004	+0.014	0.241	1.81	1.036	12.8	h5, trigonal
9ig7	F	2.02	2.60	26626	-0.007	+0.015	0.258	2.02	1.030	11.1	cbf, orthorhombic
8egn	F	1.63	1.95	38629	-0.011	+0.015	0.276	1.62	0.997	22.9	cbf, orthorhombic
6f3p	F	1.13	1.35	235840	-0.001	+0.015	0.386	1.13	0.999	9.4	marccd
8iya	F	1.91	2.43	16262	-0.002	+0.016	0.239	1.92	0.998	5.8	h5, monoclinic
6g1f	I	1.93	2.25	131738	+0.001	+0.017	0.237	1.93	1.018	21.0	cbf
6fwc	F	1.41	1.70	126460	-0.001	+0.018	0.394	1.41	0.980	27.3	cbf, orthorhombic
9jzo	F	1.15	1.40	47773	+0.002	+0.018	0.769	1.15	1.045	8.1	cbf, triclinic
8sqq	I	1.90	2.25	8697	+0.006	+0.018	0.331	1.91	0.937	17.6	h5, cubic
5jk4	I	1.02	1.01	133760	-0.001	+0.018	-	-	0.992	14.8	smv, monoclinic
9bn8	I	1.21	1.35	119114	-0.001	+0.019	0.488	1.21	0.975	19.8	h5, tetragonal
7dkp	F	1.18	1.45	131351	+0.004	+0.020	0.679	1.18	0.984	26.1	h5, monoclinic
8qaw	F	1.30	1.55	256134	+0.001	+0.022	0.356	1.30	0.957	11.0	cbf, trigonal, long-axis
9fcf	F	1.75	2.36	9898	-0.018	+0.022	0.120	1.75	0.976	7.0	cbf
11if	I	1.36	1.51	27273	-0.005	+0.022	0.286	1.36	0.982	25.7	h5, tetragonal
6ukf	I	0.96	1.00	143260	+0.004	+0.023	0.327	0.96	0.957	9.8	cbf, monoclinic
5ebi	F	0.85	1.09	39168	+0.010	+0.024	0.192	0.85	0.996	10.9	marCCD, monoclinic, twin
36gk	F	2.09	2.28	84276	-0.011	+0.024	0.313	2.09	1.014	11.8	h5, orthorhombic
8u0i	I	1.38	1.54	16737	+0.005	+0.025	0.346	1.38	1.008	17.0	cbf, tetragonal
7t5t	I	1.24	1.35	101432	-0.002	+0.025	0.251	1.24	1.017	16.5	cbf, tetragonal
9c18	I	1.71	1.90	25042	+0.010	+0.025	0.261	1.72	0.957	10.8	h5, triclinic
6h2p_1p89A	F	1.76	1.88	85465	+0.004	+0.026	0.525	1.76	1.043	22.8	cbf, orthorhombic, long-wavelength, two-wavelength
6jgj	F	0.65	0.77	250738	-0.049	+0.026	0.387	0.65	1.127	15.1	cbf, orthorhombic, cdte
6moj	I	2.43	2.43	13971	-0.050	+0.029	-	-	0.977	8.3	cbf, tetragonal
9o0h	I	2.02	2.24	15448	+0.030	+0.029	0.266	2.03	0.987	5.8	cbf, orthorhombic
8qj5	I	1.29	1.63	101763	+0.003	+0.029	0.214	1.29	1.058	8.4	cbf, monoclinic
8s38	F	1.63	1.89	121216	-0.003	+0.030	0.356	1.63	0.999	22.3	cbf, orthorhombic
8sqo	I	1.32	1.55	33951	+0.002	+0.033	0.369	1.32	0.987	14.2	h5, cubic
9z72	I	2.00	2.38	28228	+0.009	+0.033	0.272	2.00	0.994	11.8	cbf, trigonal, long-axis
5src	I	0.97	1.05	138681	+0.015	+0.035	0.247	0.97	0.988	19.6	cbf, tetragonal
6pxc	F	1.41	1.60	15636	+0.004	+0.035	0.300	1.41	1.019	10.2	cbf, orthorhombic
5cc8	F	1.53	2.00	28144	+0.038	+0.036	0.447	1.53	0.950	11.2	smv, orthorhombic, home-source, tncs
6iu9	I	2.74	3.00	9191	+0.011	+0.036	0.152	2.73	0.983	5.4	cbf, trigonal, twin
8pqd	F	1.30	1.50	102729	+0.004	+0.036	0.241	1.30	0.995	15.0	h5, orthorhombic
9s02	F	1.42	1.65	187371	-0.006	+0.036	0.235	1.42	0.969	26.0	h5, orthorhombic
8xtg	I	1.54	2.00	177630	-0.004	+0.037	0.285	1.54	1.001	7.3	cbf, trigonal
5nw5	I	7.07	6.50	9834	-0.050	+0.038	-	-	1.053	7.7	cbf, orthorhombic, low-resolution
9yzk	I	3.87	4.50	13466	+0.003	+0.038	0.017	3.88	0.995	9.3	cbf, monoclinic
9ea5	I	1.64	2.00	51543	+0.008	+0.040	0.315	1.64	0.986	26.7	cbf, monoclinic
6h2p_native	F	1.32	1.48	188243	-0.007	+0.041	0.295	1.32	0.959	20.0	cbf, orthorhombic, two-wavelength
7pq7	F	1.37	1.55	51889	-0.001	+0.041	0.152	1.38	1.007	14.0	cbf, monoclinic
9khr	I	1.38	2.00	11649	+0.008	+0.042	0.277	1.38	0.984	9.5	marCCD, orthorhombic
8xte	I	1.64	1.99	195244	+0.005	+0.043	0.307	1.63	0.999	12.4	cbf, trigonal
8tha	I	1.33	1.68	8018	+0.001	+0.044	0.316	1.33	0.980	27.7	cbf, hexagonal
6pb3	I	1.84	2.05	15267	-0.002	+0.045	0.230	1.84	1.002	25.4	cbf, hexagonal
8owm	F	1.48	1.70	293908	+0.004	+0.046	0.388	1.48	0.981	22.2	cbf, triclinic
7ph1	F	1.08	1.18	120936	-0.007	+0.050	0.379	1.08	0.991	16.0	cbf, orthorhombic
8sa8	I	1.10	1.30	409824	+0.008	+0.051	0.484	1.10	0.977	22.0	h5, monoclinic
9w3y	I	1.19	1.50	61343	+0.008	+0.051	0.454	1.19	0.995	20.2	h5, orthorhombic
7n0i	I	1.68	1.80	117513	+0.018	+0.051	0.154	1.68	1.041	10.9	cbf, orthorhombic, tncs
8rud	I	1.57	2.10	77721	+0.003	+0.052	0.297	1.58	0.927	11.9	cbf, monoclinic
6hwj	I	1.71	1.98	52132	+0.007	+0.052	0.370	1.71	0.967	39.0	cbf, monoclinic
8t7r	I	3.23	3.84	13698	+0.042	+0.054	0.284	3.23	0.998	7.8	cbf, monoclinic
7orr	I	1.62	1.79	16877	+0.002	+0.056	0.357	1.62	1.020	26.5	h5, cubic
8oic	I	2.34	2.51	78747	-0.018	+0.056	0.249	2.34	0.956	20.0	h5, triclinic
8v4o	I	2.10	2.70	59576	+0.012	+0.058	0.262	2.10	0.997	15.5	h5, hexagonal
9q41	I	1.68	1.95	42195	+0.001	+0.059	0.396	1.67	0.972	7.9	h5, orthorhombic
9z44	I	6.73	7.20	1893	+0.013	+0.059	0.089	6.81	1.031	8.5	cbf, monoclinic
7qij	I	3.59	4.10	135378	+0.027	+0.061	0.082	3.60	0.996	9.4	cbf, orthorhombic
9fcg	F	1.38	1.54	37974	+0.002	+0.062	0.454	1.38	1.004	9.7	cbf, tetragonal
7qis	F	1.75	1.83	93162	+0.016	+0.064	0.276	1.75	1.024	17.4	cbf, hexagonal
6jgi	I	0.75	0.85	187106	+0.003	+0.069	0.408	0.75	0.980	8.5	marCCD, orthorhombic
9rp9	I	1.90	2.10	19429	+0.024	+0.073	0.358	1.91	1.033	32.7	h5, monoclinic
7ou1	F	1.40	1.65	176468	+0.008	+0.085	0.392	1.40	0.966	9.0	marccd
7rji	I	1.48	1.71	16700	+0.004	+0.087	0.327	1.48	0.977	8.4	cbf, trigonal
5jvn	I	2.24	2.90	21045	+0.030	+0.092	0.235	2.24	1.031	15.6	cbf, hexagonal
7k1l	F	1.91	2.25	54383	+0.012	+0.093	0.336	1.91	1.016	9.9	cbf, hexagonal
8ys9	I	1.31	1.46	75646	+0.007	+0.096	0.379	1.31	0.982	15.4	h5, orthorhombic
9t6s	I	1.75	2.00	25144	+0.017	+0.102	0.237	1.75	0.948	29.9	h5, orthorhombic, tncs
6p8j	I	1.28	1.47	191664	+0.004	+0.120	0.387	1.28	1.062	5.3	cbf, monoclinic, pseudo-symmetry
6toc	I	1.64	1.85	6080	+0.015	+0.132	0.362	1.64	0.917	24.8	cbf, tetragonal, twin
9i0a	F	1.81	2.22	60317	+0.018	+0.164	0.200	1.80	0.984	14.1	h5, orthorhombic
8xbp	F	1.66	2.00	24156	+0.013	+0.245	0.121	1.65	1.063	18.6	h5, monoclinic
5j23	F	2.17	2.30	56769	+0.194	+0.318	0.387	2.17	1.012	11.6	marCCD, trigonal, twin

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

Like for like with XDS: the reference-range table

The same merge, binned a second time over XDS's range (--report-resolution; report-only, nothing was processed differently for it), against XDS's CORRECT.LP totals. Where rugnux's own cut is coarser than the reference ('coverage' in the last column), the shells past it are not merged at all: the completeness there is coverage of XDS's range, not a quality loss, and the other rugnux numbers are over the shells it reached. XDS's totals are over its own merged range, which is the reference range except where the reference d_min was derived (see below).

set	arm	range A	own d_min	compl % (rugnux / XDS)	mult	I/sigma	R_meas	low-res R_meas (to d A)	CC1/2	CC1/2 noise ratio	ISa	reading
aspirin_x10sa_20keV	inhouse	50.000 0.680	0.66	85.2 / 84.0	6.0 / 3.1	43.5	3.0% / 3.3%	2.2% / 3.3% (2.04 / 2.01)	0.9997 / 0.999	0.20	36.4 / 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	36.4 / 29.2	like for like
citricacid_x10sa_20keV	inhouse	50.000 0.680	0.67	83.2 / 82.0	5.8 / 3.1	45.4	3.6% / 4.1%	3.8% / 5.0% (2.04 / 2.02)	0.9986 / 0.997	0.40	24.0 / 20.4	like for like
cytc_x06da_1	inhouse	50.000 1.875	1.70	100.0 / 99.9	10.5 / 7.7	14.8	8.4% / 8.4%	3.7% / 3.3% (5.59 / 5.58)	0.9996 / 0.999	0.27	17.8 / 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	26.6 / 31.8	like for like
hepes_x10sa_20keV	inhouse	50.000 0.680	0.66	93.0 / 91.8	10.4 / 5.7	82.7	2.6% / 3.1%	3.5% / 3.7% (2.04 / 2.00)	0.9994 / 0.999	0.40	39.7 / 28.5	like for like
insu_H_x06da_notwin	inhouse	50.000 1.544	1.42	98.7 / 97.4	4.8 / 3.5	15.5	5.9% / 6.8%	4.3% / 4.5% (4.61 / 4.61)	0.9988 / 0.998	0.48	20.6 / 17.7	like for like
insu_H_x06da_twin	inhouse	50.000 1.455	1.38	96.8 / 95.0	4.5 / 3.6	8.0	12.5% / 11.8%	10.3% / 10.6% (4.35 / 4.34)	0.9869 / 0.988	1.05	6.2 / 6.8	like for like
insu_I_x06da_13keV	inhouse	50.000 1.635	1.47	100.0 / 100.0	20.2 / 17.2	9.4	26.8% / 27.9%	8.1% / 9.3% (4.88 / 4.85)	0.9982 / 0.998	0.72	26.2 / 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)	0.9991 / 0.999	0.60	25.3 / 20.0	like for like
insu_I_x06da_6keV	inhouse	50.000 2.040	2.03	95.0 / 92.4	15.5 / 12.4	34.7	5.8% / 6.5%	4.8% / 4.7% (6.08 / 6.03)	0.9995 / 0.999	0.33	20.6 / 17.9	like for like
insu_I_x06da_low_isa	inhouse	50.000 1.300	1.44	74.3 / 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	25.8% / 34.9%	6.2% / 14.3% (4.84 / 4.82)	0.9994 / 0.998	0.24	33.4 / 25.1	like for like
insu_I_x06da_weak	inhouse	999.000 1.080	1.64	28.9 / 92.4	40.1 / 29.0	15.8	16.7% / 40.1%	6.2% / 5.4% (3.24 / 3.22)	0.9997 / 0.999	0.20	15.0 / 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	99.7 / 99.2	10.4 / 6.1	48.0	5.0% / 24.1%	4.7% / 17.2% (2.22 / 2.06)	0.9991 / 0.969	0.03	26.3 / 4.1	like for like
lysoI_micromax_mono	inhouse	50.000 1.650	1.36	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	39.5 / 31.4	like for like
lysoI_micromax_pink	inhouse	50.000 1.650	1.38	100.0 / 100.0	6.5 / 6.8	20.1	6.6% / 7.9%	3.2% / 2.8% (4.93 / 4.99)	0.9993 / 0.999	0.47	36.4 / 29.2	like for like
lyso_micromax_mono	inhouse	50.000 1.500	1.18	100.0 / 100.0	6.0 / 6.2	24.4	4.7% / 4.7%	2.5% / 2.3% (4.48 / 4.54)	0.9996 / 1.000	0.80	40.9 / 39.9	like for like
lyso_micromax_pink	inhouse	50.000 1.450	1.20	99.9 / 99.9	5.8 / 6.0	21.4	4.8% / 5.1%	2.4% / 2.2% (4.34 / 4.39)	0.9996 / 1.000	0.80	41.2 / 37.4	like for like
lyso_x06da_5keV	inhouse	50.000 2.450	2.43	87.7 / 86.4	11.1 / 8.8	34.0	5.7% / 6.4%	5.4% / 4.7% (7.28 / 7.22)	0.9991 / 0.998	0.36	28.2 / 19.4	like for like
lyso_x06da_atten_wedge	inhouse	50.000 1.264	1.19	100.0 / 99.9	12.8 / 11.0	8.8	35.8% / 23.9%	6.9% / 6.9% (3.78 / 3.76)	0.9981 / 0.998	0.76	13.3 / 16.6	like for like
lyso_x06da_half_image	inhouse	50.000 1.650	1.57	100.0 / 99.6	5.5 / 5.3	3.8	110.9% / 59.5%	33.0% / 25.8% (4.93 / 4.91)	0.7920 / 0.958	5.92	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%	4.6% / 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	30.3 / 28.3	like for like
lyso_x10sa_90deg_1	inhouse	50.000 1.966	1.83	100.0 / 99.3	3.5 / 3.5	6.9	15.2% / 18.2%	4.5% / 4.9% (5.86 / 5.83)	0.9956 / 0.995	0.80	20.7 / 20.8	like for like
lyso_x10sa_90deg_2	inhouse	50.000 1.973	1.85	100.0 / 99.3	3.5 / 3.5	6.8	15.1% / 18.0%	4.6% / 5.1% (5.88 / 5.86)	0.9956 / 0.994	0.68	19.5 / 18.1	like for like
lyso_x10sa_strong	inhouse	999.000 1.180	1.36	66.0 / 65.8	21.5 / 11.5	9.1	23.8% / 11.2%	11.4% / 7.7% (3.54 / 3.52)	0.9966 / 0.998	1.36	5.5 / 8.6	coverage: own cut 1.36 A is coarser than the reference, 2 shell(s) not merged
myob_x06da	inhouse	50.000 1.422	1.23	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	26.0 / 7.6	like for like
myob_x06da_powder_1	inhouse	50.000 1.495	1.73	64.8 / 74.2	5.3 / 2.9	1.5	76.4% / 49.3%	27.7% / 12.5% (4.47 / 4.44)	0.7653 / 0.966	8.58	1.9 / 5.5	coverage: own cut 1.73 A is coarser than the reference, 2 shell(s) not merged
myob_x06da_powder_2	inhouse	999.000 0.990	1.41	35.0 / 58.0	5.5 / 4.7	0.9	125.6% / 110.6%	45.9% / 70.6% (2.97 / 2.98)	0.9076 / 0.655	0.19	2.5 / 2.2	coverage: own cut 1.41 A is coarser than the reference, 4 shell(s) not merged
myob_x06da_sparse	inhouse	50.000 2.000	1.77	100.0 / 73.7	5.5 / 5.2	3.1	38.6% / 32.6%	17.2% / 14.6% (5.96 / 5.92)	0.9004 / 0.972	3.77	3.2 / 5.5	like for like
myob_x06da_split	inhouse	50.000 1.506	1.96	45.9 / 77.7	6.0 / 4.4	2.0	71.2% / 57.7%	24.4% / 9.1% (4.50 / 4.48)	0.9199 / 0.984	5.19	2.6 / 12.4	coverage: own cut 1.96 A is coarser than the reference, 3 shell(s) not merged
myob_x10sa	inhouse	50.000 1.742	1.57	98.1 / 97.7	3.2 / 3.3	5.7	16.0% / 24.7%	7.6% / 18.6% (5.20 / 5.16)	0.9900 / 0.965	0.27	10.3 / 5.2	like for like
thau_bl1a_3p8keV	inhouse	100.000 3.100	3.02	93.5 / 92.2	9.1 / 7.9	29.7	6.5% / 5.7%	6.3% / 3.9% (9.26 / 9.23)	0.9966 / 0.997	0.97	23.6 / 30.8	like for like
thau_bl1a_4p6keV	inhouse	100.000 2.530	2.47	93.2 / 92.0	9.0 / 7.9	27.2	6.4% / 6.2%	5.2% / 3.9% (7.57 / 7.56)	0.9979 / 0.998	0.84	38.2 / 35.6	like for like
thau_bl1a_6p5keV	inhouse	100.000 1.780	1.73	93.2 / 91.8	8.9 / 8.0	19.6	7.3% / 7.2%	4.6% / 4.1% (5.33 / 5.33)	0.9988 / 0.999	0.80	43.4 / 34.5	like for like
thau_micromax_pink	inhouse	50.000 1.400	1.24	99.0 / 98.5	9.5 / 9.4	15.3	8.7% / 8.0%	4.8% / 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)	0.9981 / 0.997	0.54	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	7.0% / 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	37.3	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	36.5 / 28.4	21.8	39.4% / 43.2%	41.8% / 43.6% (2.04 / 1.99)	0.9298 / 0.947	1.34	3.0 / 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)	0.1762	1.061	0.039	0.047 / 0.10	0.27 / -0.24	0.0865 / 0.0883	1.009	0.1084	ok
dnba	open	4510615	0.81	0.0266 (1171)	0.0706	1.072	0.002	0.030 / 1.87	0.21 / -0.21	0.0202 / 0.0225	1.008	0.0795	ok
lalanine	open	2311261	0.65	0.0311 (1070)	0.0939	1.150	0.000	0.055 / 0.07	0.25 / -0.25	0.0204 / 0.0258	1.018	0.0439	ok
metformin	open	2108029	0.51	0.0322 (4453)	0.0960	1.101	0.000	0.041 / 0.40	0.59 / -0.38	0.0284 / 0.0206	1.012	0.0373	ok
nidppe	open	2012031	0.51	0.0414 (9289)	0.1022	1.036	0.004	0.037 / 0.55	0.58 / -0.65	0.0726 / 0.0525	0.993	0.1541	ok
aspirin_x10sa_20keV	inhouse	7050897	0.66	0.0363 (2288)	0.1095	1.100	0.009	0.058 / 0.29	0.42 / -0.39	0.0274 / 0.0171	1.005	0.0819	ok
aspirin_x10sa_25keV	inhouse	7050897	0.53	0.0358 (4379)	0.1165	1.077	0.012	0.069 / 0.11	0.54 / -0.45	0.0288 / 0.0180	1.005	0.0908	ok
citricacid_x10sa_20keV	inhouse	5000063	0.67	0.0374 (2092)	0.1026	1.092	0.149	0.052 / 0.36	0.43 / -0.26	0.0329 / 0.0233	1.009	0.2755	ok
hepes_x10sa_20keV	inhouse	2224210	0.66	0.0310 (3358)	0.0895	1.061	0.053	0.052 / 0.80	0.44 / -0.54	0.0246 / 0.0118	1.015	0.0404	ok
kdp_x10sa_20keV	inhouse	9009999	0.66	0.0475 (305)	0.1208	1.363	0.028	0.000 / 6.44	0.82 / -0.76	0.0494 / 0.0238	0.990	0.2658	ok
lcystine_x10sa_20keV	inhouse	1513328	0.67	0.1575 (1216)	0.3812	1.457	0.000	0.200 / 0.00	2.21 / -1.17	0.3066 / 0.1109	1.396	0.2102	ok
lcystine_x10sa_25keV	inhouse	1513328	0.53	0.1397 (2305)	0.3903	1.465	0.000	0.200 / 0.00	2.20 / -2.01	0.2667 / 0.0919	1.256	0.2363	ok
yag_x10sa_20keV	inhouse	2003066	0.67	0.1021 (247)	0.2472	1.142	0.584	0.181 / 18.31	2.69 / -6.79	0.4973 / 0.1053	0.789	0.1740	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
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

5 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
• 9rci (open): we report P 1, the reference is P 1; accepted as cell 35.869 39.297 199.976. The deposited cell is the (0,1/2,1/2)-centred sublattice of the supercell we report, to 0.17%, and both descriptions of this lattice are defensible. The Patterson has an off-origin peak at 62.5% of the origin, so a real translational NCS relates the two halves of our cell: describing the crystal by the doubled cell with the near-translation left in the content, or by its sublattice with the near-translation absorbed into the lattice, is a choice, not a measurement. The alternative cell is the deposited one doubled along c with the centring removed (c' = b + 2c), computed from the deposited cell alone - not from our output

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	REFMAC R_free	REFMAC dep data	REFMAC ratio	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	25.7	-	-	0.192	0.134	0.966	0.188	0.197	0.210	0.898	2.920	0.229	0.233	0.982	0.022	ACCEPTED	12	P 41 vs reference P 43 (hand only (needs anomalous)); labelled P 43 from the model
2wnn	open	pass	P 1 21 1	P 1 21 1	0.11	1.003	1.44	1.65	+12.5%	73.7	3.6	7.2%	4.6%	0.997	14.1	-	-	0.279	0.174	0.913	0.286	0.284	0.249	1.148	1.000	0.253	0.313	0.807	-0.351	NOT_TESTED	76
2wnq	open	fail	C 2 2 21	P 1 21 1	68.55	0.997	1.65	1.80	+8.1%	97.1	7.1	10.8%	6.0%	0.997	10.3	-	-	0.536	0.275	0.397	0.545	0.549	0.253	2.153	0.020	0.278	0.261	1.066	-0.626	NOT_TESTED	63	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	1.85	1.85	-0.2%	99.7	3.7	12.2%	4.0%	0.996	14.8	-	-	0.207	0.220	0.936	0.232	0.237	0.225	1.031	0.940	0.255	0.229	1.113	-0.396	NOT_TESTED	61
2xfw	open	pass	P 1 21 1	P 1 21 1	0.11	1.000	1.55	1.65	+5.8%	99.7	3.7	14.8%	4.4%	0.996	14.1	-	-	0.200	0.157	0.951	0.220	0.218	0.182	1.209	1.110	0.215	0.186	1.158	-0.515	ACCEPTED	93
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	0.109	0.950	0.203	0.212	0.223	0.913	2.800	0.255	0.252	1.014	0.024	NOT_TESTED	38
3inp	open	pass	F 41 3 2	F 41 3 2	0.04	1.001	1.70	2.05	+16.9%	99.7	18.8	10.8%	5.5%	0.999	13.2	-	-	0.239	0.070	0.946	0.239	0.240	0.177	1.351	2.980	0.240	0.244	0.984	0.003	NOT_TESTED	46
3ky7	open	pass	P 43 3 2	P 43 3 2	0.03	1.001	1.92	2.35	+18.3%	99.7	25.7	10.7%	5.9%	0.999	12.2	-	-	0.339	0.043	0.899	0.335	0.341	0.255	1.312	0.400	0.352	0.355	0.992	0.001	NOT_TESTED	58
3mc4	open	pass	R 3:H	H 3	0.06	0.998	1.79	1.95	+8.1%	79.9	3.3	10.0%	8.4%	0.994	12.5	-	-	0.252	0.061	0.900	0.256	0.254	0.156	1.642	1.400	0.261	0.191	1.365	-0.333	ACCEPTED	10
3meb	open	pass	P 1 21 1	P 1 21 1	0.43	0.992	1.53	1.90	+19.4%	31.7	2.2	13.9%	9.5%	0.989	15.6	-	-	0.201	1.105	0.954	0.203	0.205	0.214	0.950	-0.190	0.229	0.230	0.993	-0.107	NOT_TESTED	6
3p85	open	pass	P 63 2 2	P 63 2 2	0.50	1.007	1.62	1.90	+14.7%	86.8	10.8	12.1%	10.2%	0.998	8.1	-	-	0.194	0.117	0.953	0.201	0.201	0.216	0.930	7.760	0.203	0.232	0.879	-0.404	NOT_TESTED	10
3r6o	open	fail	I 41 2 2	I 41	0.43	0.990	1.53	1.95	+21.4%	43.1	7.2	19.1%	17.2%	0.985	4.5	-	-	0.302	0.725	0.807	0.307	0.304	0.185	1.657	1.580	0.310	0.223	1.393	-0.664	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	+16.1%	99.4	7.0	14.1%	5.7%	0.998	14.3	-	-	0.520	0.130	0.383	0.524	0.524	0.235	2.230	0.300	0.234	0.227	1.030	-0.520	NOT_TESTED	59	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	11.2	-	-	0.171	0.165	0.959	0.184	0.178	0.194	0.950	4.010	0.203	0.214	0.950	0.036	ACCEPTED	11	P 21 21 21 vs reference P 21 21 2
5ebi	open	fail	C 2 2 21	P 1 21 1	40.37	1.001	0.85	1.09	+21.6%	99.4	6.7	12.3%	7.2%	0.998	10.9	-	-	0.580	0.135	0.340	0.571	0.584	0.169	3.380	-0.150	0.181	0.181	0.996	0.024	REJECTED	46	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	+7.0%	99.7	15.1	16.5%	8.4%	0.998	9.9	-	-	0.173	0.109	0.951	0.181	0.182	0.167	1.086	11.950	0.208	0.200	1.039	-0.093	ACCEPTED	36
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	23.0	-	-	0.152	0.132	0.972	0.165	0.160	0.154	1.065	5.990	0.163	0.158	1.032	-0.059	NOT_TESTED	8
5j23	open	pass	R 3:H	H 3	0.15	0.998	2.17	2.30	+5.8%	99.7	5.2	15.4%	6.0%	0.996	11.6	-	-	0.226	0.145	0.939	0.234	0.237	0.169	1.386	0.860	0.188	0.185	1.012	0.318	NOT_TESTED	34
5jk4	open	pass	P 1 21 1	P 1 21 1	0.12	1.000	1.02	1.10	+7.5%	84.9	4.0	8.9%	4.1%	0.998	14.8	-	-	0.109	0.092	0.980	0.123	0.121	0.125	0.990	3.690	0.152	0.154	0.992	0.018	NOT_TESTED	25
5jvn	open	pass	P 6 2 2	P 6 2 2	0.03	0.999	2.24	2.90	+22.8%	98.7	16.8	16.3%	5.4%	0.999	15.6	-	-	0.228	0.137	0.884	0.249	0.249	0.235	1.059	1.360	0.250	0.242	1.031	0.092	NOT_TESTED	42
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	25.4%	10.6%	0.986	6.1	-	-	0.233	0.123	0.937	0.243	0.241	0.223	1.091	0.550	0.246	0.229	1.076	-0.142	NOT_TESTED	91
5lzl	open	pass	P 31 2 1	P 31 2 1	0.29	0.992	2.86	3.47	+17.6%	94.9	8.9	17.1%	4.8%	0.998	15.2	-	-	0.222	0.139	0.878	0.229	0.233	0.250	0.915	1.260	0.264	0.257	1.027	-0.026	NOT_TESTED	18
5m17	open	pass	I 4	I 4	0.08	0.998	0.98	1.03	+4.6%	92.6	6.0	5.5%	5.1%	0.996	16.2	-	-	0.132	0.220	0.961	0.158	0.159	0.130	1.217	7.090	0.175	0.171	1.024	-0.034	NOT_TESTED	97
5mln	open	pass	P 21 21 2	P 21 2 21	0.10	0.999	1.26	1.60	+21.3%	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	2.170	0.194	0.190	1.017	-0.007	ACCEPTED	22
5nw5	open	pass	P 21 21 21	P 21 21 21	0.19	0.997	7.07	6.50	-8.8%	99.7	6.3	33.3%	16.7%	0.927	7.7	-	-	0.395	0.254	0.806	0.448	0.419	0.277	1.618	0.090	0.342	0.325	1.053	0.038	NOT_TESTED	46
5ojv	open	pass	P 21 21 2	P 21 21 2	0.41	0.993	1.82	2.06	+11.7%	98.5	6.5	14.5%	4.6%	0.998	13.2	-	-	0.173	0.158	0.960	0.187	0.192	0.194	0.964	1.990	0.213	0.214	0.998	-0.005	NOT_TESTED	237
5reo	open	pass	C 1 2 1	C 1 2 1	0.35	1.009	1.65	1.88	+12.1%	99.4	3.1	22.2%	8.1%	0.990	23.7	-	-	0.202	0.068	0.960	0.199	0.206	0.227	0.879	0.750	0.231	0.233	0.991	-0.036	NOT_TESTED	9
5src	open	pass	P 41	P 43	0.09	0.999	0.97	1.05	+7.7%	99.0	6.2	5.7%	3.1%	0.999	19.6	-	-	0.161	0.190	0.962	0.183	0.180	0.175	1.042	6.050	0.208	0.211	0.988	0.035	ACCEPTED	38	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	0.13	1.003	1.01	1.10	+8.5%	90.9	4.2	7.3%	4.4%	0.998	16.2	-	-	0.151	0.088	0.956	0.156	0.153	0.154	1.014	6.470	0.183	0.182	1.003	-0.053	NOT_TESTED	71
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%	7.5%	0.997	9.5	-	-	0.194	0.165	0.952	0.217	0.210	0.202	1.074	2.800	0.222	0.220	1.009	-0.012	ACCEPTED	10
5vml	open	pass	P 42 21 2	P 42 21 2	0.02	1.000	1.92	1.70	-12.6%	81.0	7.4	10.2%	9.8%	0.996	10.9	-	-	0.156	0.050	0.964	0.165	0.158	0.171	0.966	3.400	0.180	0.171	1.053	-0.038	NOT_TESTED	6
6cdl	open	pass	P 21 21 2	P 21 21 2	1.22	1.023	1.13	1.25	+9.5%	71.7	6.4	7.8%	6.4%	0.997	11.6	-	-	0.147	0.233	0.949	0.159	0.159	0.181	0.881	4.600	0.195	0.187	1.039	-0.051	NOT_TESTED	49
6cee	open	pass	P 21 21 21	P 21 21 21	0.04	1.001	1.38	1.55	+10.9%	87.8	6.1	5.4%	3.6%	0.999	23.9	-	-	0.166	0.137	0.952	0.174	0.182	0.169	1.028	9.050	0.181	0.182	0.993	0.001	NOT_TESTED	7
6cs9	open	pass	P 1 21 1	P 1 21 1	0.06	0.999	1.72	1.85	+7.1%	91.3	3.8	9.9%	4.3%	0.998	13.1	-	-	0.211	0.143	0.902	0.205	0.226	0.227	0.903	0.770	0.257	0.252	1.018	0.010	NOT_TESTED	29
6f3p	open	pass	C 1 2 1	C 1 2 1	0.12	0.997	1.13	1.35	+16.1%	99.3	3.6	10.0%	5.4%	0.997	9.4	-	-	0.143	0.214	0.968	0.169	0.169	0.127	1.331	-3.420	0.173	0.174	0.999	0.015	NOT_TESTED	128
6fid	open	pass	P 21 21 21	P 21 21 21	0.41	1.008	1.98	2.20	+10.1%	72.9	12.4	9.4%	10.4%	0.998	13.6	-	-	0.193	0.054	0.943	0.196	0.198	0.220	0.892	11.260	0.237	0.242	0.977	-0.018	NOT_TESTED	28
6fvz	open	pass	C 2 2 2	C 2 2 2	0.43	0.989	1.49	1.80	+17.2%	99.5	6.7	24.2%	5.1%	0.996	20.5	-	-	0.198	0.094	0.954	0.202	0.206	0.199	1.017	1.330	0.207	0.207	0.998	-0.018	NOT_TESTED	38
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	1.440	0.197	0.201	0.980	0.018	NOT_TESTED	26
6g1f	open	pass	C 1 2 1	C 1 2 1	0.04	1.000	1.93	2.25	+14.1%	99.6	3.8	11.8%	3.9%	0.997	21.0	-	-	0.208	0.120	0.954	0.222	0.220	0.211	1.054	1.040	0.231	0.226	1.018	0.017	NOT_TESTED	116
6gvk	open	pass	C 1 2 1	C 1 2 1	0.09	0.999	1.42	1.55	+8.5%	99.6	6.7	5.2%	3.3%	0.999	19.8	-	-	0.200	0.179	0.950	0.215	0.212	0.210	1.021	1.880	0.225	0.227	0.989	0.007	NOT_TESTED	94
6h2p_1p89A	open	pass	C 2 2 21	C 2 2 21	0.03	1.000	1.76	-	-	88.1	10.2	8.5%	5.2%	0.999	22.8	-	-	0.143	0.076	0.971	0.149	0.147	0.170	0.873	9.200	0.170	0.163	1.043	0.026	NOT_TESTED	217
6h2p_native	open	pass	C 2 2 21	C 2 2 21	0.04	0.999	1.32	1.48	+10.8%	99.5	6.6	13.7%	3.9%	0.999	20.0	-	-	0.161	0.067	0.973	0.165	0.165	0.170	0.968	3.330	0.175	0.182	0.959	0.041	NOT_TESTED	113
6h5t	open	pass	I 4 2 2	I 4 2 2	0.40	0.991	1.48	1.69	+12.4%	99.4	7.4	14.6%	8.3%	0.996	9.3	-	-	0.196	0.192	0.941	0.222	0.218	0.191	1.164	9.000	0.227	0.214	1.057	-0.015	NOT_TESTED	35
6hv2	open	pass	P 61 2 2	P 61 2 2	0.04	1.001	1.41	1.71	+17.6%	99.8	29.2	19.8%	5.5%	1.000	13.7	-	-	0.219	0.279	0.947	0.239	0.242	0.263	0.910	7.830	0.271	0.326	0.829	-0.008	NOT_TESTED	32
6hwj	open	pass	P 1 21 1	P 1 21 1	0.10	1.001	1.71	1.98	+13.4%	97.5	3.5	8.6%	2.4%	0.999	39.0	-	-	0.187	0.129	0.960	0.192	0.198	0.214	0.894	1.600	0.215	0.223	0.967	0.052	NOT_TESTED	14
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%	16.3%	0.977	6.8	-	-	0.203	0.172	0.914	0.237	0.234	0.226	1.049	1.730	0.219	0.190	1.154	0.002	NOT_TESTED	75
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	7.630	0.261	0.258	1.008	-0.018	ACCEPTED	88
6iu6	open	pass	P 31	P 31	0.33	0.996	2.36	2.90	+18.6%	97.4	4.2	11.5%	7.9%	0.996	7.2	-	-	0.221	0.165	0.950	0.233	0.238	0.211	1.102	3.540	0.223	0.209	1.063	-0.016	ACCEPTED	91
6iu8	open	pass	P 31	P 31	0.02	1.000	2.32	2.70	+14.1%	99.7	10.2	14.1%	7.5%	0.998	8.1	-	-	0.270	0.173	0.910	0.282	0.282	0.215	1.315	1.230	0.211	0.215	0.984	-0.024	NOT_TESTED	13
6iu9	open	pass	P 31	P 31	0.22	1.005	2.74	3.00	+8.8%	99.7	4.7	14.4%	9.8%	0.993	5.4	-	-	0.310	0.096	0.811	0.327	0.312	0.265	1.234	1.430	0.250	0.254	0.983	0.036	ACCEPTED	86
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	23.4%	10.9%	0.990	6.6	-	-	0.136	0.170	0.964	0.156	0.157	0.129	1.206	2.070	0.174	0.163	1.069	-0.070	NOT_TESTED	104
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	1.145	6.270	0.145	0.148	0.980	0.069	NOT_TESTED	115
6jgj	open	pass	P 21 21 21	P 21 21 21	0.28	0.992	0.65	0.77	+15.7%	85.0	7.2	7.4%	4.6%	0.999	15.1	-	-	0.164	0.057	0.962	0.167	0.166	0.125	1.333	2.600	0.188	0.167	1.127	0.026	NOT_TESTED	49
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	0.210	0.917	0.257	0.262	0.250	1.028	1.050	0.276	0.282	0.977	0.029	NOT_TESTED	125
6nen	open	pass	P 3 1 2	P 3 1 2	0.07	0.998	1.77	2.15	+17.7%	99.6	21.6	28.5%	10.2%	0.997	6.3	-	-	0.211	0.054	0.936	0.218	0.215	0.208	1.050	1.000	0.212	0.210	1.008	0.007	ACCEPTED	19
6o2h	open	pass	P 1	P 1	0.74	0.982	1.10	1.21	+9.5%	30.3	1.1	7.0%	8.3%	0.977	23.9	-	-	0.096	0.132	0.934	0.129	0.127	0.117	1.103	0.110	0.179	0.155	1.157	-0.003	ACCEPTED	13
6oel	open	pass	F 41 3 2	F 41 3 2	0.00	1.000	2.85	3.10	+8.1%	99.7	41.4	36.5%	8.2%	0.998	9.9	-	-	0.248	0.136	0.815	0.255	0.259	0.256	0.998	0.700	0.278	0.288	0.965	-0.024	NOT_TESTED	40
6oww	open	fail	P 41 21 2	P 1 21 1	0.19	0.998	2.72	3.84	+29.3%	99.7	42.0	203.3%	14.0%	0.994	11.8	-	-	0.363	0.076	0.857	0.376	0.368	0.340	1.105	2.030	0.321	0.342	0.938	-0.049	ACCEPTED	222	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	+13.1%	99.6	6.6	23.7%	12.0%	0.990	5.3	-	-	0.241	0.099	0.907	0.251	0.247	0.229	1.094	1.180	0.257	0.242	1.062	0.120	NOT_TESTED	143	P 21 21 2 vs reference P 1 21 1
6p8p	open	pass	P 4	P 4	0.14	1.003	1.46	1.64	+10.9%	99.7	6.7	13.2%	5.1%	0.998	15.5	-	-	0.189	0.143	0.950	0.204	0.203	0.198	1.030	1.890	0.210	0.203	1.036	-0.017	NOT_TESTED	20
6pb3	open	pass	P 6	P 6	0.17	0.995	1.84	2.05	+10.1%	93.6	10.3	6.5%	3.0%	1.000	25.4	-	-	0.214	0.108	0.956	0.229	0.219	0.252	0.908	10.600	0.270	0.269	1.002	0.045	ACCEPTED	32
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	0.258	0.959	0.279	0.261	0.263	1.059	0.620	0.291	0.294	0.991	-0.005	NOT_TESTED	16	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	0.23	0.996	1.41	1.60	+11.9%	96.0	5.7	8.1%	5.6%	0.998	10.2	-	-	0.210	0.164	0.960	0.214	0.217	0.210	1.022	0.690	0.226	0.222	1.019	0.035	NOT_TESTED	32
6qaj	open	pass	C 2 2 21	C 2 2 21	0.41	0.993	2.70	2.90	+6.8%	99.7	9.2	24.4%	5.1%	0.997	13.2	-	-	0.321	0.230	0.858	0.332	0.331	0.291	1.139	4.460	0.311	0.327	0.951	-0.069	NOT_TESTED	65
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	16.5%	3.5%	1.000	17.9	-	-	0.362	0.045	0.586	0.367	0.364	0.321	1.143	0.130	0.394	0.380	1.038	-0.232	NOT_TESTED	26
6rlr	open	pass	P 1	P 1	0.03	1.001	1.92	2.00	+3.9%	97.6	3.5	12.9%	4.1%	0.998	16.4	-	-	0.250	0.067	0.896	0.254	0.254	0.279	0.909	0.680	0.287	0.281	1.022	-0.014	NOT_TESTED	18
6rym	open	pass	P 41	P 43	0.06	0.998	1.45	1.46	+0.5%	79.7	3.9	4.2%	4.1%	0.998	22.9	-	-	0.170	0.246	0.940	0.190	0.183	0.184	1.033	14.400	0.198	0.194	1.022	-0.009	ACCEPTED	16	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	+7.8%	95.0	3.8	22.3%	5.6%	0.989	13.8	-	-	0.202	0.089	0.951	0.200	0.210	0.235	0.849	0.600	0.244	0.251	0.975	-0.031	NOT_TESTED	13
6toc	open	pass	P 42 2 2	P 42	0.30	0.991	1.64	1.85	+11.6%	99.7	24.3	9.4%	2.3%	1.000	24.8	-	-	0.276	0.136	0.973	0.270	0.281	0.265	1.018	0.540	0.245	0.267	0.917	0.132	ACCEPTED	11	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	0.41	1.012	1.08	1.12	+3.2%	98.5	11.9	10.7%	4.5%	0.999	14.5	-	-	0.132	0.155	0.975	0.154	0.149	0.146	1.051	8.200	0.175	0.172	1.020	-0.018	NOT_TESTED	45
6u7g	open	pass	P 1 21 1	P 1 21 1	0.13	1.003	1.88	2.35	+20.1%	78.4	3.3	8.0%	4.1%	0.998	13.3	-	-	0.198	0.110	0.933	0.200	0.204	0.218	0.916	1.570	0.232	0.237	0.980	-0.097	NOT_TESTED	71
6ukf	open	pass	P 1 21 1	P 1 21 1	0.08	1.001	0.96	1.00	+4.3%	91.5	6.8	9.5%	5.8%	0.998	9.8	-	-	0.165	0.074	0.954	0.161	0.167	0.166	0.970	2.260	0.183	0.191	0.957	0.023	NOT_TESTED	48
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	24.4	-	-	0.205	0.207	0.945	0.209	0.230	0.235	0.889	12.960	0.262	0.263	0.996	0.009	NOT_TESTED	8
6vww	open	pass	P 63	P 63	0.20	1.005	1.99	2.20	+9.7%	99.6	5.6	16.4%	8.9%	0.993	8.0	-	-	0.240	0.118	0.925	0.243	0.249	0.178	1.370	0.670	0.256	0.249	1.025	0.004	NOT_TESTED	15
6w4h	open	pass	P 31 2 1	P 31 2 1	0.02	1.000	1.62	1.80	+9.8%	97.8	6.9	7.6%	3.9%	0.999	18.5	-	-	0.163	0.160	0.967	0.169	0.176	0.163	1.036	4.710	0.195	0.196	0.996	-0.012	ACCEPTED	71
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	12.0%	4.7%	0.999	15.8	-	-	0.175	0.170	0.957	0.188	0.187	0.174	1.075	3.590	0.192	0.194	0.991	-0.016	ACCEPTED	94	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	+26.8%	67.0	3.8	6.2%	3.7%	0.999	16.8	-	-	0.174	0.120	0.959	0.175	0.175	0.173	1.013	2.680	0.178	0.184	0.965	0.004	NOT_TESTED	54
6yqf	open	pass	P 21 21 2	P 21 21 2	0.71	1.017	3.02	3.33	+9.3%	99.7	5.7	70.0%	11.0%	0.982	4.2	-	-	0.434	0.156	0.742	0.442	0.448	0.367	1.204	-0.200	0.420	0.420	1.001	-0.233	NOT_TESTED	23
6z8o	open	pass	P 1 21 1	P 1 21 1	0.63	1.016	2.21	2.20	-0.4%	90.7	3.6	17.4%	5.8%	0.995	13.9	-	-	0.276	0.069	0.905	0.281	0.280	0.275	1.023	1.240	0.298	0.286	1.043	-0.045	NOT_TESTED	64
6z9g	open	fail	P 1 21 1	P 1 21 1	22.53	0.501	1.59	1.76	+9.4%	81.5	4.3	11.4%	4.9%	0.997	14.8	-	-	0.530	0.184	0.142	0.542	0.536	0.240	2.260	0.050	-	-	-	-	NOT_TESTED	94	primitive volume ratio 0.50
6ze4	open	pass	P 21 21 21	P 21 21 21	0.59	1.009	1.30	1.60	+18.9%	96.2	8.0	20.2%	6.7%	0.993	9.3	-	-	0.213	0.079	0.966	0.218	0.217	0.202	1.077	1.790	0.193	0.185	1.040	-0.020	NOT_TESTED	75
6zqr	open	pass	P 4	P 4	0.40	1.010	1.76	1.93	+8.8%	99.7	8.2	19.3%	8.1%	0.996	9.1	-	-	0.197	0.168	0.949	0.204	0.213	0.191	1.066	1.350	0.214	0.201	1.064	-0.098	NOT_TESTED	17
6zqy	open	pass	P 4	P 4	0.12	0.997	1.70	1.85	+8.2%	98.8	7.9	23.3%	5.6%	0.994	12.7	-	-	0.213	0.158	0.948	0.222	0.227	0.196	1.131	1.360	0.220	0.205	1.071	-0.144	ACCEPTED	32
6zr0	open	pass	P 4	P 4	0.08	1.001	1.66	1.94	+14.7%	98.0	3.7	13.1%	4.1%	0.993	24.5	-	-	0.216	0.068	0.960	0.218	0.218	0.210	1.039	1.800	0.222	0.219	1.014	0.005	ACCEPTED	57
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	0.197	0.964	0.166	0.165	0.161	1.033	0.000	0.203	0.200	1.016	-0.103	ACCEPTED	35
7atg	open	pass	P 21 21 21	P 21 21 21	0.08	1.002	0.60	0.60	+0.5%	86.8	3.8	5.2%	7.1%	0.995	22.9	-	-	0.127	0.201	0.442	0.176	0.175	0.095	1.857	6.470	-	-	-	-0.026	NOT_TESTED	28
7bgt	open	pass	P 1	P 1	0.32	0.991	1.78	1.93	+7.6%	97.9	2.2	13.7%	5.6%	0.993	17.4	-	-	0.195	0.118	0.955	0.207	0.206	0.212	0.977	0.230	0.225	0.226	0.999	-0.000	NOT_TESTED	12
7bgu	open	pass	P 1	P 1	0.17	0.996	2.30	2.43	+5.6%	94.7	2.9	12.4%	4.5%	0.937	10.0	-	-	0.286	0.108	0.801	0.304	0.304	0.236	1.288	0.260	0.268	0.235	1.140	-0.246	NOT_TESTED	41
7brr	open	pass	P 1 21 1	P 1 21 1	0.09	0.998	1.24	1.35	+7.9%	96.8	6.3	6.6%	3.8%	0.999	16.6	-	-	0.192	0.095	0.963	0.191	0.196	0.197	0.966	3.070	0.205	0.209	0.981	-0.041	NOT_TESTED	17
7dkp	open	pass	P 1 21 1	P 1 21 1	0.06	1.002	1.18	1.45	+18.3%	66.3	7.3	11.9%	4.6%	0.998	26.1	-	-	0.158	0.080	0.969	0.161	0.163	0.160	1.001	2.830	0.170	0.172	0.984	0.020	NOT_TESTED	29
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	9.9	-	-	0.261	0.098	0.909	0.268	0.268	0.192	1.401	0.780	0.271	0.266	1.016	0.093	NOT_TESTED	20	P 6 vs reference P 63: the screw along c is undeterminable from these data (offered P 61 / P 65 / P 62 / P 64 / P 63)
7kcn	open	pass	P 41 2 2	P 41 2 2	0.07	1.000	1.39	1.46	+4.7%	92.8	20.7	7.8%	7.4%	0.999	11.7	-	-	0.172	0.154	0.961	0.189	0.190	0.182	1.041	8.440	0.209	0.198	1.055	-0.020	NOT_TESTED	33
7l6j	open	pass	I 41 3 2	I 41 3 2	0.00	1.000	1.51	1.78	+15.3%	99.7	29.0	20.9%	7.5%	0.999	10.5	-	-	0.172	0.179	0.963	0.187	0.188	0.154	1.211	29.130	0.181	0.178	1.013	-0.001	NOT_TESTED	107
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	11.4	-	-	0.150	0.090	0.911	0.169	0.163	0.162	1.040	17.580	0.179	0.183	0.976	-0.008	ACCEPTED	17	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	3.12	4.07	+23.4%	99.7	10.6	366.1%	33.8%	0.971	4.1	-	-	0.414	0.104	0.556	0.426	0.418	0.372	1.144	-0.040	0.394	0.398	0.991	-0.020	ACCEPTED	33	P 21 21 21 vs reference P 21 21 2: the screw along c is undeterminable from these data (offered P 21 21 2)
7n0i	open	pass	P 21 21 21	P 21 21 21	0.22	0.996	1.68	2.20	+23.8%	99.7	6.6	14.5%	5.7%	0.998	10.9	-	-	0.267	0.259	0.916	0.295	0.294	0.271	1.085	0.530	0.296	0.284	1.041	0.051	NOT_TESTED	27
7n2s	open	pass	P 1 21 1	P 1 21 1	0.07	1.000	2.56	2.37	-8.1%	97.6	3.4	56.7%	8.7%	0.917	9.6	-	-	0.299	0.111	0.822	0.312	0.308	0.311	1.002	0.340	0.315	0.325	0.968	-0.018	NOT_TESTED	12
7orr	open	pass	I 2 3	I 21 3	0.03	0.999	1.62	1.79	+9.3%	99.6	15.7	6.7%	4.0%	1.000	26.5	-	-	0.183	0.164	0.965	0.196	0.194	0.184	1.062	5.080	0.184	0.181	1.020	0.056	NOT_TESTED	20	I 2 3 vs reference I 21 3 (UNDECIDABLE from intensities)
7os3	open	pass	P 21 21 21	P 21 21 21	0.10	1.002	1.96	2.18	+10.1%	83.6	11.4	8.4%	3.8%	0.999	24.4	-	-	0.181	0.153	0.955	0.194	0.193	0.224	0.866	6.150	0.233	0.236	0.985	-0.054	NOT_TESTED	33
7ou1	open	pass	P 1 21 1	P 1 21 1	0.04	0.999	1.40	1.65	+15.0%	87.9	3.4	15.9%	7.7%	0.991	9.0	-	-	0.202	0.098	0.955	0.209	0.210	0.222	0.944	1.520	0.229	0.237	0.966	0.085	NOT_TESTED	22
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	0.158	0.968	0.174	0.172	0.166	1.051	3.210	0.207	0.209	0.991	0.050	NOT_TESTED	77
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	6.5%	4.3%	0.998	14.0	-	-	0.188	0.193	0.946	0.215	0.209	0.200	1.074	2.320	0.230	0.229	1.007	0.041	NOT_TESTED	14
7q6j	open	pass	P 21 21 21	P 21 21 21	0.25	0.998	1.98	2.20	+9.9%	99.7	7.3	14.6%	5.4%	0.996	11.0	-	-	0.224	0.137	0.945	0.236	0.240	0.236	1.000	1.620	0.258	0.260	0.996	-0.019	NOT_TESTED	126
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	0.180	0.363	0.364	0.996	0.061	NOT_TESTED	92
7qis	open	pass	P 61	P 61	0.05	0.999	1.75	1.83	+4.3%	99.6	9.1	20.9%	6.2%	0.997	17.4	-	-	0.166	0.195	0.965	0.192	0.191	0.189	1.019	1.410	0.214	0.209	1.024	0.064	NOT_TESTED	31
7raa	open	pass	P 41 21 2	P 43 21 2	0.04	0.999	2.58	2.69	+4.1%	98.7	35.1	17.2%	5.5%	1.000	11.0	-	-	0.296	0.217	0.902	0.335	0.304	0.294	1.140	0.530	0.305	0.308	0.990	-0.036	ACCEPTED	182	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	0.08	1.000	1.51	1.72	+12.0%	96.3	17.9	10.0%	3.3%	1.000	31.0	-	-	0.188	0.047	0.961	0.189	0.190	0.201	0.942	2.260	0.206	0.209	0.987	-0.004	ACCEPTED	24	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	0.26	1.008	1.48	1.71	+13.3%	99.3	28.9	13.1%	8.2%	0.999	8.4	-	-	0.206	0.119	0.947	0.198	0.212	0.224	0.883	6.960	0.227	0.232	0.977	0.087	NOT_TESTED	27
7t5t	open	pass	P 42 21 2	P 42 21 2	0.04	0.999	1.24	1.35	+8.2%	98.4	12.6	6.5%	4.4%	0.999	16.5	-	-	0.163	0.246	0.960	0.192	0.188	0.168	1.145	11.230	0.193	0.189	1.017	0.025	NOT_TESTED	60
7tcd	open	pass	C 1 2 1	C 1 2 1	0.20	1.004	1.65	1.70	+2.8%	69.3	7.1	8.6%	4.3%	0.999	18.4	-	-	0.191	0.195	0.956	0.211	0.208	0.252	0.835	1.170	0.248	0.257	0.968	-0.057	NOT_TESTED	28
7yzx	open	pass	P 63 2 2	P 63 2 2	0.25	0.994	1.88	1.90	+1.3%	99.7	14.1	20.5%	6.2%	0.998	10.4	-	-	0.212	0.106	0.951	0.215	0.215	0.229	0.938	1.380	0.236	0.230	1.025	0.013	NOT_TESTED	49
8a1a	open	pass	P 61	P 65	0.42	0.987	1.93	2.05	+5.9%	99.7	41.8	52.0%	8.1%	0.997	18.8	-	-	0.177	0.029	0.962	0.179	0.178	0.185	0.968	1.820	0.178	0.179	0.991	-0.036	ACCEPTED	94	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	14.1	-	-	0.181	0.212	0.945	0.204	0.203	0.149	1.373	6.460	0.201	0.174	1.153	-0.022	NOT_TESTED	26
8c3e	open	fail	P 6 2 2	P 31 2 1	0.24	0.994	1.79	2.10	+14.5%	98.0	7.0	29.4%	11.9%	0.980	5.8	-	-	0.359	0.290	0.758	0.400	0.388	0.249	1.607	0.960	0.381	0.370	1.031	-0.076	ACCEPTED	5	P 6 2 2 vs reference P 31 2 1
8dqb	open	pass	I 2 3	I 2 3	0.08	0.998	2.05	2.50	+18.1%	97.5	10.3	14.3%	4.4%	0.996	22.1	-	-	0.230	0.112	0.939	0.237	0.243	0.239	0.990	3.080	0.254	0.252	1.005	0.006	NOT_TESTED	14
8dyz	open	pass	P 41 21 2	P 43 21 2	0.08	0.999	1.14	1.27	+10.4%	64.2	3.8	3.1%	2.4%	0.999	37.8	-	-	0.120	0.046	0.973	0.121	0.122	0.133	0.907	4.220	0.171	0.178	0.958	-0.050	ACCEPTED	12	P 41 21 2 vs reference P 43 21 2 (hand only (needs anomalous)); labelled P 43 21 2 from the model
8dz7	open	pass	P 21 21 21	P 21 21 21	0.08	0.998	1.19	1.34	+11.2%	37.2	3.2	3.0%	2.7%	0.999	35.1	-	-	0.118	0.068	0.968	0.128	0.122	0.136	0.942	5.140	0.172	0.170	1.009	-0.008	NOT_TESTED	10
8egn	open	pass	P 21 21 21	P 21 21 21	0.07	1.001	1.63	1.95	+16.6%	91.2	5.4	6.3%	3.3%	0.999	22.9	-	-	0.197	0.154	0.953	0.215	0.205	0.219	0.979	2.530	0.230	0.231	0.997	0.015	NOT_TESTED	14
8iya	open	pass	C 1 2 1	C 1 2 1	0.16	0.996	1.91	2.43	+21.3%	97.9	5.5	21.6%	11.5%	0.989	5.8	-	-	0.247	0.033	0.946	0.234	0.249	0.247	0.948	0.400	0.254	0.254	0.998	0.016	NOT_TESTED	8
8k1g	open	pass	I 4 2 2	I 4 2 2	0.82	1.019	1.63	2.09	+22.1%	99.7	20.6	25.6%	6.8%	0.999	11.7	-	-	0.206	0.200	0.956	0.227	0.226	0.207	1.093	2.260	0.209	0.215	0.974	-0.107	NOT_TESTED	43
8oic	open	pass	P 1	P 1	0.02	1.000	2.34	2.80	+16.4%	98.2	3.6	24.4%	4.6%	0.988	20.0	-	-	0.238	0.112	0.933	0.248	0.246	0.251	0.988	0.410	0.249	0.260	0.956	0.056	ACCEPTED	42
8owm	open	pass	P 1	P 1	0.02	1.000	1.48	1.70	+13.2%	96.3	3.6	10.2%	3.4%	0.998	22.2	-	-	0.164	0.127	0.971	0.177	0.176	0.172	1.031	1.370	0.183	0.186	0.981	0.046	NOT_TESTED	67
8pqd	open	pass	P 21 21 21	P 21 21 21	0.03	1.000	1.30	1.50	+13.0%	94.5	13.5	9.0%	5.5%	0.999	15.0	-	-	0.184	0.216	0.961	0.204	0.200	0.194	1.051	3.570	0.209	0.210	0.995	0.036	NOT_TESTED	63
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	0.163	0.958	0.153	0.157	0.161	0.950	11.400	0.175	0.183	0.957	0.022	NOT_TESTED	401
8qj5	open	pass	P 1 21 1	P 1 21 1	0.45	0.987	1.29	1.63	+20.9%	98.1	6.1	17.7%	7.7%	0.996	8.4	-	-	0.192	0.121	0.941	0.206	0.203	0.190	1.083	1.500	0.204	0.193	1.058	0.029	NOT_TESTED	20
8qq7	open	pass	P 62 2 2	P 64 2 2	0.65	1.017	3.16	3.62	+12.7%	99.4	24.9	19.0%	10.5%	0.997	6.4	-	-	0.432	0.370	0.330	0.429	0.436	0.320	1.340	0.750	0.351	0.330	1.065	-0.107	ACCEPTED	13	P 62 2 2 vs reference P 64 2 2 (hand only (needs anomalous)); labelled P 64 2 2 from the model
8r5r	open	pass	P 21 21 21	P 21 21 21	0.04	1.001	2.80	3.08	+9.0%	99.7	10.1	22.7%	4.7%	0.998	19.3	-	-	0.263	0.144	0.884	0.284	0.271	0.252	1.127	0.430	0.253	0.252	1.003	-0.024	NOT_TESTED	30
8rud	open	pass	P 1 21 1	P 1 21 1	0.40	0.989	1.57	2.10	+25.1%	99.7	6.6	37.8%	6.3%	0.991	11.9	-	-	0.253	0.081	0.924	0.261	0.258	0.262	0.997	0.690	0.242	0.262	0.927	0.052	NOT_TESTED	236
8s38	open	pass	I 2 2 2	I 21 21 21	0.16	0.996	1.63	1.89	+13.8%	99.5	6.7	8.6%	3.5%	0.999	22.3	-	-	0.180	0.133	0.962	0.185	0.188	0.187	0.990	2.280	0.204	0.204	0.999	0.030	NOT_TESTED	125	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	0.144	0.972	0.169	0.169	0.152	1.109	3.790	0.181	0.185	0.977	0.051	ACCEPTED	94
8sqo	open	pass	P 4 3 2	P 4 3 2	0.13	0.996	1.32	1.55	+14.7%	99.7	70.4	23.4%	6.1%	1.000	14.2	-	-	0.183	0.180	0.957	0.206	0.199	0.177	1.159	7.020	0.190	0.193	0.987	0.033	NOT_TESTED	72
8sqq	open	pass	F 4 3 2	F 4 3 2	0.17	0.995	1.90	2.25	+15.5%	99.7	39.2	25.1%	5.4%	0.999	17.6	-	-	0.211	0.105	0.963	0.206	0.217	0.245	0.839	3.100	0.242	0.258	0.937	0.018	NOT_TESTED	63
8sqt	open	pass	F 4 3 2	F 4 3 2	0.11	0.997	1.88	2.20	+14.7%	99.7	21.6	20.1%	3.5%	0.999	29.9	-	-	0.223	0.109	0.967	0.226	0.232	0.262	0.860	2.080	0.269	0.257	1.044	0.004	NOT_TESTED	28
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	31.2%	8.3%	0.984	7.8	-	-	0.283	0.078	0.755	0.285	0.290	0.263	1.086	0.430	0.282	0.283	0.998	0.054	NOT_TESTED	63
8tha	open	pass	P 62	P 64	0.17	0.995	1.33	1.68	+21.1%	99.1	19.0	16.3%	3.2%	0.999	27.7	-	-	0.212	0.091	0.961	0.220	0.217	0.215	1.026	4.370	0.215	0.220	0.980	0.044	ACCEPTED	19	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	16.6%	5.2%	0.999	16.3	-	-	0.160	0.151	0.970	0.180	0.175	0.163	1.104	13.520	0.161	0.162	0.989	0.002	NOT_TESTED	184
8u0i	open	pass	P 41 21 2	P 43 21 2	0.06	1.001	1.38	1.54	+10.6%	98.1	11.0	8.1%	3.4%	0.999	17.0	-	-	0.179	0.054	0.964	0.183	0.182	0.210	0.871	3.370	0.212	0.210	1.008	0.025	ACCEPTED	18	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	0.24	1.005	1.17	1.40	+16.8%	90.9	9.7	8.8%	5.1%	0.999	11.9	-	-	0.166	0.213	0.969	0.181	0.180	0.163	1.110	10.860	0.161	0.165	0.975	0.014	NOT_TESTED	31
8v4j	open	pass	P 42 21 2	P 42 21 2	0.04	1.000	1.10	1.31	+16.0%	89.5	11.4	5.4%	3.1%	1.000	22.1	-	-	0.170	0.112	0.965	0.177	0.176	0.172	1.026	12.350	0.169	0.172	0.983	0.008	NOT_TESTED	110
8v4o	open	pass	P 61 2 2	P 61 2 2	0.06	1.001	2.10	2.70	+22.2%	99.7	20.4	31.9%	6.0%	0.998	15.5	-	-	0.236	0.157	0.929	0.253	0.254	0.240	1.056	0.960	0.247	0.247	0.997	0.058	NOT_TESTED	63
8xbp	open	pass	C 1 2 1	C 1 2 1	0.15	0.999	1.66	1.99	+16.7%	81.0	6.6	11.2%	4.1%	0.999	18.6	-	-	0.313	0.177	0.892	0.329	0.320	0.288	1.141	1.210	0.329	0.310	1.063	0.245	NOT_TESTED	21
8xte	open	pass	P 31 2 1	P 32	0.06	1.001	1.64	1.99	+17.8%	99.5	9.4	25.2%	7.7%	0.996	12.4	-	-	0.275	0.121	0.913	0.287	0.284	0.219	1.307	0.910	0.290	0.290	0.999	0.043	NOT_TESTED	34	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	0.22	1.006	1.84	2.13	+13.7%	99.6	18.9	73.3%	16.7%	0.989	7.6	-	-	0.191	0.044	0.964	0.186	0.193	0.210	0.884	1.400	0.208	0.218	0.956	-0.003	NOT_TESTED	31
8xtg	open	pass	P 31 2 1	P 32	0.05	1.002	1.54	2.00	+22.8%	99.7	9.9	27.3%	10.7%	0.994	7.3	-	-	0.275	0.134	0.903	0.284	0.284	0.211	1.345	0.880	0.280	0.280	1.001	0.037	ACCEPTED	50	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%	97.6	6.2	13.0%	7.8%	0.997	8.6	-	-	0.214	0.104	0.939	0.225	0.220	0.240	0.935	1.230	0.257	0.267	0.962	-0.032	NOT_TESTED	11
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	15.4	-	-	0.176	0.104	0.962	0.188	0.182	0.197	0.955	3.110	0.209	0.213	0.982	0.096	NOT_TESTED	29
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	0.121	0.968	0.166	0.164	0.164	1.014	0.160	0.196	0.194	1.007	-0.044	NOT_TESTED	17
9bn8	open	pass	P 41	P 41	0.09	0.997	1.21	1.35	+10.6%	95.4	11.6	8.1%	3.8%	1.000	19.8	-	-	0.151	0.104	0.967	0.159	0.157	0.158	1.011	3.770	0.177	0.182	0.975	0.019	ACCEPTED	27
9c18	open	pass	P 1	P 1	0.61	0.985	1.71	1.90	+9.8%	97.4	3.6	27.3%	8.5%	0.986	10.8	-	-	0.221	0.067	0.947	0.221	0.224	0.229	0.965	0.710	0.224	0.234	0.957	0.025	ACCEPTED	11
9chw	open	pass	P 61	P 61	0.04	1.001	1.60	2.16	+25.9%	72.5	3.1	5.8%	3.3%	0.998	21.3	-	-	0.180	0.140	0.962	0.184	0.186	0.210	0.879	1.730	0.216	0.214	1.006	-0.008	NOT_TESTED	79
9crw	open	pass	P 1 21 1	P 1 21 1	0.23	0.994	2.28	2.49	+8.4%	97.2	7.0	8.7%	3.7%	0.999	15.8	-	-	0.247	0.132	0.955	0.262	0.260	0.278	0.943	0.690	0.296	0.293	1.010	-0.014	NOT_TESTED	16
9e2t	open	pass	P 1	P 1	0.06	1.001	2.29	2.28	-0.4%	91.6	5.7	29.1%	7.3%	0.992	6.8	-	-	0.230	0.047	0.937	0.232	0.233	0.242	0.958	0.420	0.254	0.259	0.980	-0.019	NOT_TESTED	67
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	26.7	-	-	0.196	0.111	0.954	0.202	0.204	0.207	0.976	1.200	0.212	0.215	0.986	0.040	ACCEPTED	94
9fcf	open	pass	P 4	P 4	0.04	1.001	1.75	2.36	+25.8%	99.6	13.1	34.5%	10.0%	0.994	7.0	-	-	0.292	0.064	0.923	0.295	0.295	0.257	1.147	0.850	0.269	0.276	0.976	0.022	ACCEPTED	146
9fcg	open	pass	P 4	P 4	0.07	0.999	1.38	1.54	+10.2%	89.9	11.3	14.1%	8.3%	0.997	9.7	-	-	0.180	0.111	0.956	0.189	0.191	0.198	0.952	2.420	0.202	0.201	1.004	0.062	ACCEPTED	48
9fhc	open	pass	I 2 3	I 2 3	0.25	0.993	1.92	2.20	+12.9%	95.2	18.4	17.0%	4.7%	0.998	12.3	-	-	0.239	0.072	0.917	0.244	0.244	0.238	1.024	1.200	0.250	0.240	1.042	-0.024	ACCEPTED	107
9gdj	open	pass	P 41 21 2	P 41 21 2	0.16	0.996	1.40	1.47	+5.1%	99.7	13.1	11.2%	6.1%	0.999	12.9	-	-	0.154	0.199	0.968	0.172	0.176	0.175	0.983	2.890	0.199	0.195	1.021	-0.023	NOT_TESTED	289
9gjx	open	pass	P 1 21 1	P 1 21 1	0.13	0.997	2.06	2.40	+14.1%	96.3	6.7	16.3%	3.1%	0.997	40.1	-	-	0.193	0.146	0.952	0.224	0.216	0.219	1.020	0.840	0.234	0.227	1.033	-0.019	NOT_TESTED	28
9gqg	open	pass	P 31 2 1	P 32 2 1	0.01	1.000	1.81	2.00	+9.6%	99.6	7.8	11.4%	6.0%	0.998	12.8	-	-	0.232	0.116	0.912	0.243	0.244	0.261	0.932	1.790	0.276	0.267	1.036	0.014	ACCEPTED	57	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	0.965	1.100	0.231	0.236	0.980	-0.016	NOT_TESTED	44
9hnc	open	fail	P 1 21 1	P 1 2 1	0.09	0.999	1.63	1.88	+13.0%	90.9	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	0.227	0.246	0.923	-0.237	NOT_TESTED	66	P 1 21 1 vs reference P 1 2 1
9hs7	open	pass	P 61	P 65	0.08	0.999	1.70	1.70	+0.2%	99.7	10.2	11.7%	5.0%	0.999	13.3	-	-	0.213	0.206	0.965	0.236	0.229	0.239	0.988	1.260	0.244	0.255	0.958	-0.083	ACCEPTED	26	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	0.43	1.008	1.81	2.22	+18.6%	98.9	12.7	16.9%	5.1%	0.999	14.1	-	-	0.224	0.116	0.955	0.233	0.235	0.237	0.984	0.950	0.255	0.259	0.984	0.164	NOT_TESTED	59
9i80	open	pass	P 41	P 41	0.07	1.002	1.59	1.95	+18.2%	99.7	13.0	25.1%	10.7%	0.992	6.8	-	-	0.219	0.117	0.905	0.221	0.225	0.203	1.092	1.890	0.212	0.207	1.024	0.002	NOT_TESTED	116
9ig7	open	pass	P 21 21 2	P 21 21 2	0.17	0.996	2.02	2.60	+22.3%	99.7	13.7	21.7%	7.3%	0.991	11.1	-	-	0.234	0.081	0.931	0.249	0.239	0.259	0.963	0.800	0.286	0.277	1.030	0.015	NOT_TESTED	82
9ih9	open	pass	C 1 2 1	C 1 2 1	0.21	0.997	1.40	1.70	+17.6%	96.0	2.4	11.2%	5.0%	0.996	12.7	-	-	0.199	0.075	0.952	0.207	0.204	0.203	1.020	1.020	0.204	0.202	1.007	-0.021	NOT_TESTED	20
9jq9	open	pass	P 21 21 21	P 21 21 21	0.12	0.997	1.65	1.90	+13.2%	84.9	10.2	6.9%	4.3%	0.999	19.5	-	-	0.212	0.151	0.936	0.242	0.223	0.237	1.022	4.820	0.241	0.239	1.005	-0.011	NOT_TESTED	6
9jzo	open	pass	P 1	P 1	0.22	0.996	1.15	1.40	+18.0%	61.1	3.3	5.8%	4.5%	0.997	8.1	-	-	0.179	0.047	0.960	0.176	0.180	0.195	0.906	4.390	0.203	0.194	1.045	0.018	NOT_TESTED	11
9khr	open	pass	P 21 21 21	P 21 21 21	0.12	0.997	1.38	2.00	+30.9%	96.9	6.5	18.8%	11.3%	0.994	9.5	-	-	0.244	0.116	0.942	0.259	0.254	0.235	1.104	2.020	0.245	0.249	0.984	0.042	NOT_TESTED	13
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%	10.2%	0.996	6.2	-	-	0.306	0.095	0.896	0.321	0.304	0.234	1.371	0.690	0.302	0.286	1.058	-0.270	NOT_TESTED	60
9mh4	open	pass	P 21 3	P 21 3	0.31	0.991	2.78	3.05	+8.8%	99.7	40.5	20.2%	4.9%	1.000	13.8	-	-	0.229	0.150	0.922	0.232	0.237	0.215	1.079	0.980	0.242	0.238	1.017	0.005	NOT_TESTED	24
9min	open	fail	P 21 21 2	P 21 21 21	36.97	0.494	1.86	2.05	+9.2%	99.6	23.4	26.5%	6.8%	0.999	10.5	-	-	0.566	0.207	0.221	0.575	0.577	0.267	2.150	-0.000	-	-	-	-	NOT_TESTED	73	primitive volume ratio 0.49
9o0h	open	pass	P 21 21 21	P 21 21 21	0.25	0.994	2.02	2.24	+9.7%	99.6	12.7	65.1%	12.8%	0.985	5.8	-	-	0.242	0.079	0.941	0.249	0.247	0.249	0.999	0.110	0.263	0.267	0.987	0.029	NOT_TESTED	59
9p7q	open	pass	C 1 2 1	C 1 2 1	0.14	1.003	1.76	2.21	+20.3%	88.0	2.6	23.8%	8.8%	0.985	10.8	-	-	0.269	0.036	0.950	0.282	0.270	0.259	1.090	0.870	0.267	0.262	1.017	-0.037	NOT_TESTED	12
9pbb	open	pass	C 1 2 1	C 1 2 1	0.15	0.997	1.78	2.17	+17.8%	73.7	2.3	19.1%	6.0%	0.993	17.0	-	-	0.233	0.035	0.953	0.231	0.234	0.223	1.037	0.670	0.233	0.238	0.980	-0.087	NOT_TESTED	16
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%	0.984	7.9	-	-	0.188	0.099	0.959	0.194	0.195	0.213	0.908	0.480	0.208	0.214	0.972	0.059	NOT_TESTED	23
9q66	open	pass	P 1 21 1	P 1 21 1	0.34	0.990	2.03	2.01	-0.9%	99.7	7.1	32.1%	8.2%	0.990	13.1	-	-	0.204	0.084	0.903	0.216	0.216	0.266	0.813	0.660	0.280	0.275	1.017	-0.021	NOT_TESTED	30
9qvv	open	pass	I 2 2 2	I 2 2 2	0.42	0.989	2.49	2.72	+8.5%	87.8	13.8	11.2%	2.3%	1.000	37.3	-	-	0.235	0.204	0.867	0.239	0.246	0.279	0.854	1.640	0.259	0.273	0.947	-0.030	NOT_TESTED	110
9qw2	open	pass	P 1 21 1	P 1 21 1	0.77	1.012	1.76	1.92	+8.5%	99.6	3.4	18.5%	6.6%	0.958	7.8	-	-	0.240	0.040	0.930	0.245	0.242	0.212	1.155	0.540	0.260	0.220	1.185	-0.360	NOT_TESTED	98
9qw8	open	pass	P 1	P 1	0.46	1.000	1.71	1.80	+5.2%	97.0	2.9	20.0%	7.6%	0.989	9.2	-	-	0.294	0.148	0.890	0.312	0.302	0.243	1.286	0.330	0.317	0.249	1.272	-0.326	NOT_TESTED	66
9rci	open	pass	P 1	P 1	97.58	1.990	1.76	1.66	-5.8%	85.2	2.6	29.6%	12.3%	0.951	7.0	-	-	0.561	0.084	0.284	0.555	0.564	0.283	1.959	-0.020	-	-	-	-	NOT_TESTED	22	P 1 vs reference P 1: accepted alternative cell 35.869 39.297 199.976 - a knife-edge this battery does not decide
9rcs	open	pass	P 1 21 1	P 1 21 1	0.93	1.022	3.27	3.01	-8.5%	99.7	7.0	23.4%	9.9%	0.994	7.3	-	-	0.318	0.124	0.502	0.341	0.325	0.317	1.078	0.380	0.336	0.363	0.928	-0.171	ACCEPTED	51
9rp9	open	pass	C 1 2 1	C 1 2 1	0.16	0.996	1.90	2.10	+9.3%	99.6	6.1	17.4%	4.8%	0.997	32.7	-	-	0.204	0.138	0.931	0.233	0.225	0.222	1.051	2.470	0.235	0.228	1.033	0.073	NOT_TESTED	25
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	10.2%	3.3%	0.999	26.0	-	-	0.180	0.109	0.961	0.189	0.189	0.193	0.977	2.250	0.195	0.202	0.969	0.036	ACCEPTED	127
9sl0	open	pass	P 21 21 21	P 21 21 21	0.37	0.990	1.36	1.60	+14.9%	99.3	12.3	8.0%	3.7%	1.000	20.2	-	-	0.245	0.156	0.912	0.255	0.256	0.264	0.967	2.200	0.269	0.270	0.996	0.001	NOT_TESTED	45
9t6s	open	pass	P 21 21 21	P 21 21 21	0.06	1.000	1.75	2.00	+12.6%	95.7	5.1	11.2%	3.6%	0.999	29.9	-	-	0.215	0.044	0.970	0.232	0.216	0.241	0.960	2.510	0.239	0.252	0.948	0.102	NOT_TESTED	12
9upt	open	pass	P 6	P 6	0.20	0.994	2.03	2.37	+14.4%	99.7	5.7	24.4%	10.8%	0.989	6.5	-	-	0.218	0.088	0.942	0.218	0.225	0.215	1.014	1.310	0.228	0.216	1.056	-0.046	NOT_TESTED	77
9vyb	open	pass	P 21 21 21	P 21 21 21	0.40	0.989	1.67	2.12	+21.3%	86.9	10.0	8.2%	3.6%	0.999	22.1	-	-	0.246	0.082	0.934	0.253	0.249	0.269	0.938	0.420	0.262	0.264	0.995	0.012	NOT_TESTED	34
9w3y	open	pass	P 21 21 21	P 21 21 21	0.25	1.004	1.19	1.50	+20.4%	99.7	6.8	24.7%	5.2%	0.997	20.2	-	-	0.187	0.088	0.973	0.198	0.197	0.198	0.998	4.930	0.214	0.215	0.995	0.051	NOT_TESTED	11
9yl4	open	pass	P 21 21 21	P 21 21 21	0.08	1.001	3.61	3.70	+2.5%	99.7	13.4	31.8%	9.4%	0.996	9.5	-	-	0.293	0.066	0.942	0.303	0.297	0.283	1.069	5.750	0.284	0.288	0.987	-0.023	NOT_TESTED	90
9yzk	open	pass	I 1 2 1	I 1 2 1	0.20	0.996	3.87	5.10	+24.1%	98.5	3.3	30.9%	4.9%	0.997	9.3	-	-	0.355	0.294	0.867	0.406	0.412	0.304	1.335	0.180	0.312	0.314	0.995	0.038	ACCEPTED	12
9z44	open	pass	I 1 2 1	I 1 2 1	1.35	0.964	6.73	7.20	+6.5%	98.2	3.3	22.3%	8.9%	0.981	8.5	-	-	0.334	0.163	0.782	0.324	0.343	0.345	0.939	-0.030	0.361	0.350	1.031	0.059	ACCEPTED	27
9z72	open	pass	P 31 2 1	P 31 2 1	0.15	1.004	2.00	2.38	+16.1%	99.7	9.9	80.3%	12.6%	0.991	11.8	-	-	0.240	0.048	0.912	0.255	0.243	0.269	0.948	0.570	0.275	0.277	0.994	0.033	NOT_TESTED	44
9zlo	open	pass	P 21 21 21	P 21 21 21	0.39	0.995	1.56	2.00	+21.9%	99.7	12.7	12.3%	3.9%	0.999	24.1	-	-	0.224	0.065	0.942	0.231	0.228	0.219	1.053	1.750	0.225	0.222	1.011	-0.024	NOT_TESTED	25
9zm0	open	pass	P 1 21 1	P 1 21 1	0.16	0.997	1.80	2.10	+14.5%	99.7	6.5	25.0%	9.9%	0.996	9.0	-	-	0.255	0.098	0.955	0.275	0.259	0.298	0.923	4.590	0.297	0.302	0.984	-0.020	NOT_TESTED	9
9zmu	open	pass	P 61 2 2	P 65 2 2	0.25	1.007	1.72	1.98	+13.4%	99.7	28.0	30.1%	7.3%	0.999	11.6	-	-	0.278	0.153	0.893	0.284	0.289	0.294	0.966	0.890	0.303	0.304	0.997	0.009	ACCEPTED	31	P 61 2 2 vs reference P 65 2 2 (hand only (needs anomalous)); labelled P 65 2 2 from the model
cuhf2	open	unscored	P 4 2 2	-	-	-	0.51	-	-	82.1	13.9	2.8%	2.1%	1.000	45.5	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	32	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	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	24
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%	1.8%	1.000	36.8	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	6
lalanine	open	pass	P 21 21 21	P 21 21 21	0.07	0.998	0.65	-	-	77.3	2.6	2.6%	1.7%	1.000	42.4	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	9
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	30.8	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	5
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	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	5
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%	79.5	5.9	3.0%	2.2%	1.000	36.4	27.4	-	-	-	-	-	-	-	-	-	-	-	-	-	-	9
aspirin_x10sa_25keV	inhouse	pass	P 1 21/c 1	P 1 21/c 1	0.05	1.001	0.53	0.55	+3.6%	79.1	6.0	3.1%	2.2%	1.000	36.4	29.2	-	-	-	-	-	-	-	-	-	-	-	-	-	-	11
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	3.6%	3.8%	0.999	24.1	20.4	-	-	-	-	-	-	-	-	-	-	-	-	-	-	11
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	-	0.264	0.273	0.927	0.335	0.293	0.296	1.132	5.380	-	-	-	-	ACCEPTED	14	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	+7.3%	99.5	17.4	9.8%	3.5%	1.000	21.2	27.0	-	0.253	0.221	0.924	0.306	0.279	0.286	1.069	6.320	-	-	-	-	ACCEPTED	15	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	+13.9%	99.6	20.1	20.0%	4.0%	0.999	26.2	31.8	-	0.262	0.263	0.938	0.357	0.287	0.340	1.050	2.690	-	-	-	-	ACCEPTED	23	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%	1.000	39.6	28.5	-	-	-	-	-	-	-	-	-	-	-	-	-	-	12
insu_H_x06da_notwin	inhouse	pass	R 3:H	R 3	0.06	0.999	1.42	1.54	+8.4%	91.3	8.6	6.2%	4.2%	0.999	20.4	17.7	-	0.229	0.110	0.935	0.215	0.233	0.229	0.940	6.050	-	-	-	-	ACCEPTED	9
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	-	0.264	0.088	0.885	0.253	0.267	0.229	1.108	4.400	-	-	-	-	NOT_TESTED	7
insu_I_x06da_13keV	inhouse	pass	I 2 3	I 2 3	0.27	1.008	1.47	1.64	+9.9%	99.7	38.9	32.1%	8.4%	0.999	-	18.8	-	0.234	0.029	0.940	0.259	0.234	0.161	1.606	1.330	-	-	-	-	ACCEPTED	15
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	1.523	7.950	-	-	-	-	ACCEPTED	6
insu_I_x06da_5keV_2	inhouse	pass	I 2 3	I 2 3	0.05	0.999	2.42	2.45	+1.1%	93.9	29.5	8.4%	5.8%	0.999	25.3	20.0	-	0.219	0.263	0.899	0.294	0.274	0.161	1.828	9.120	-	-	-	-	NOT_TESTED	5
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	20.6	17.9	-	0.213	0.037	0.933	0.236	0.213	0.161	1.464	11.500	-	-	-	-	ACCEPTED	6
insu_I_x06da_low_isa	inhouse	pass	I 2 3	I 2 3	0.08	1.002	1.44	1.30	-10.4%	99.9	31.9	22.4%	16.1%	0.998	5.6	4.2	-	0.226	0.095	0.933	0.261	0.229	0.161	1.619	3.110	-	-	-	-	NOT_TESTED	11
insu_I_x06da_ref	inhouse	pass	I 2 3	I 2 3	0.13	1.004	1.40	1.62	+13.4%	99.7	24.8	30.6%	6.2%	0.999	32.2	25.1	-	0.226	0.077	0.937	0.245	0.228	0.161	1.522	3.330	-	-	-	-	NOT_TESTED	10
insu_I_x06da_weak	inhouse	pass	I 2 3	I 2 3	0.79	1.024	1.64	1.81	+9.2%	99.5	40.1	16.7%	4.9%	1.000	15.0	18.9	-	0.286	0.147	0.919	0.315	0.289	0.161	1.958	1.920	-	-	-	-	NOT_TESTED	16
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	25.1	4.1	-	-	-	-	-	-	-	-	-	-	-	-	-	-	93	I 41 m d vs reference I -4 2 d
lcystine_x10sa_20keV	inhouse	pass	P 61 2 2	P 61 2 2	0.49	0.991	0.67	-	-	92.9	19.5	30.6%	18.4%	1.000	5.7	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	57
lcystine_x10sa_25keV	inhouse	pass	P 61 2 2	P 61 2 2	0.52	0.990	0.53	-	-	92.1	20.9	26.7%	13.4%	1.000	5.5	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	23
lysoI_micromax_mono	inhouse	pass	P 41 21 2	P 43 21 2	0.06	1.001	1.36	1.65	+17.6%	98.9	9.6	7.0%	2.9%	1.000	37.9	31.4	-	0.270	0.080	0.906	0.290	0.274	0.177	1.638	3.080	-	-	-	-	ACCEPTED	21	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	0.09	1.002	1.38	1.65	+16.1%	99.3	9.8	8.0%	3.1%	1.000	35.1	29.2	-	0.275	0.084	0.900	0.297	0.279	0.177	1.677	2.470	-	-	-	-	ACCEPTED	13	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	39.9	39.9	-	0.234	0.151	0.932	0.249	0.243	0.177	1.407	4.530	-	-	-	-	ACCEPTED	20	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	0.16	1.004	1.20	1.45	+17.0%	83.6	8.3	5.1%	2.5%	1.000	40.6	37.4	-	0.236	0.180	0.930	0.260	0.253	0.177	1.468	4.650	-	-	-	-	ACCEPTED	14	P 41 21 2 vs reference P 43 21 2 (screws not judged against XDS); labelled P 43 21 2 from the model
lyso_x06da_5keV	inhouse	pass	P 41 21 2	P 41 21 2	0.29	1.009	2.43	2.45	+0.7%	86.2	19.7	6.5%	5.4%	0.999	28.2	19.4	-	0.282	0.175	0.825	0.297	0.297	0.177	1.675	5.830	-	-	-	-	ACCEPTED	6	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	23.1	42.5%	7.2%	0.998	13.1	16.6	-	0.295	0.073	0.896	0.306	0.296	0.177	1.729	1.930	-	-	-	-	ACCEPTED	17	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	9.8	118.0%	33.5%	0.969	6.8	6.6	-	0.278	0.061	0.889	0.289	0.282	0.177	1.629	0.830	-	-	-	-	ACCEPTED	26	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	18.8%	4.7%	0.999	22.5	23.3	-	0.287	0.103	0.902	0.313	0.292	0.177	1.765	2.660	-	-	-	-	ACCEPTED	13	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	-	0.272	0.089	0.902	0.287	0.275	0.177	1.622	9.660	-	-	-	-	ACCEPTED	15	P 41 21 2 vs reference P 4 2 2 (screws not judged against XDS); labelled P 43 21 2 from the model
lyso_x10sa_90deg_1	inhouse	pass	P 41 21 2	P 41 21 2	0.12	0.998	1.83	1.97	+6.9%	99.7	6.4	17.5%	4.6%	0.998	20.7	20.8	-	0.380	0.099	0.817	0.369	0.386	0.177	2.083	0.350	-	-	-	-	ACCEPTED	8	labelled P 43 21 2 from the model
lyso_x10sa_90deg_2	inhouse	pass	P 41 21 2	P 41 21 2	0.16	0.997	1.85	1.97	+6.3%	99.7	6.4	17.0%	4.8%	0.998	19.0	18.1	-	0.378	0.104	0.819	0.372	0.385	0.177	2.100	0.560	-	-	-	-	ACCEPTED	8	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	1.36	1.24	-9.5%	99.4	21.5	23.8%	10.3%	0.997	5.5	8.6	-	0.375	0.197	0.844	0.368	0.379	0.177	2.076	1.560	-	-	-	-	ACCEPTED	36	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	1.070	3.410	-	-	-	-	NOT_TESTED	8
myob_x06da_powder_1	inhouse	pass	P 1 21 1	P 1 21 1	0.02	1.000	1.73	1.50	-15.6%	99.2	5.3	76.4%	25.3%	0.765	1.9	5.5	-	0.520	0.234	0.280	0.572	0.524	0.218	2.624	0.380	-	-	-	-	ACCEPTED	12
myob_x06da_powder_2	inhouse	pass	P 1 21 1	P 1 21 1	0.34	0.995	1.41	0.99	-42.2%	99.4	5.5	125.6%	33.4%	0.908	2.5	2.2	-	0.447	0.181	0.092	0.490	0.464	0.218	2.247	1.090	-	-	-	-	NOT_TESTED	12
myob_x06da_sparse	inhouse	pass	P 1 21 1	P 1 21 1	0.44	0.993	1.77	2.00	+11.7%	99.7	5.5	45.7%	18.3%	0.902	3.0	5.5	-	0.398	0.133	0.770	0.365	0.402	0.218	1.674	0.890	-	-	-	-	NOT_TESTED	16
myob_x06da_split	inhouse	pass	P 1 21 1	P 1 21 1	0.24	0.998	1.96	1.51	-30.1%	99.7	6.0	71.2%	20.4%	0.920	2.6	12.4	-	0.387	0.120	0.219	0.375	0.391	0.218	1.718	0.480	-	-	-	-	NOT_TESTED	12
myob_x10sa	inhouse	pass	P 1 21 1	P 1 21 1	0.31	1.004	1.57	1.74	+10.0%	97.5	5.7	17.2%	7.7%	0.995	10.2	5.2	-	0.244	0.079	0.936	0.246	0.248	0.218	1.131	2.130	-	-	-	-	NOT_TESTED	14
nothing_1	inhouse	pass	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	48	no lattice reported, as expected
nothing_2	inhouse	pass	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	-	44	no lattice reported, as expected
thau_bl1a_3p8keV	inhouse	pass	P 41 21 2	P 4 2 2	0.02	1.000	3.02	3.10	+2.7%	88.7	15.5	7.3%	6.5%	0.998	23.6	30.8	-	0.185	0.031	0.935	0.188	0.186	0.151	1.241	8.910	-	-	-	-	NOT_TESTED	9	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	0.08	0.998	2.47	2.53	+2.5%	88.4	15.8	6.8%	5.3%	0.999	38.2	35.6	-	0.183	0.027	0.943	0.175	0.185	0.151	1.154	8.530	-	-	-	-	NOT_TESTED	8	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	0.04	0.999	1.73	1.78	+2.6%	88.5	16.1	7.5%	4.7%	0.999	42.8	34.5	-	0.191	0.052	0.951	0.183	0.194	0.151	1.212	6.690	-	-	-	-	NOT_TESTED	11	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	0.13	0.997	1.24	1.40	+11.1%	95.1	13.8	8.8%	5.0%	0.999	15.9	21.2	-	0.190	0.202	0.962	0.213	0.215	0.151	1.407	4.020	-	-	-	-	NOT_TESTED	16
thau_x10sa_0p1deg	inhouse	pass	P 41 21 2	P 41 21 2	0.23	0.993	1.91	2.20	+13.0%	87.1	17.3	14.4%	7.3%	0.998	10.8	9.2	-	0.236	0.027	0.932	0.232	0.238	0.151	1.531	1.260	-	-	-	-	NOT_TESTED	22
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	53.4	44.5	-	0.228	0.119	0.942	0.231	0.235	0.151	1.525	2.340	-	-	-	-	NOT_TESTED	18
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	1.474	9.340	-	-	-	-	NOT_TESTED	25
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	34.9	39.4%	41.8%	0.702	3.0	3.2	-	-	-	-	-	-	-	-	-	-	-	-	-	-	17

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	- -> 0.264	- -> 0.253	- -> 0.09	- -> 4.40	13.2% -> 12.5%	11.5% -> 10.3%	-	-	-	-	12 -> 7	r_meas, refres_r_meas, refres_lowres_r_meas
insu_I_x06da_ref	inhouse	pass	I 2 3	1.40	31.1 -> 32.2	27.8% -> 30.6%	0.999	0.13	- -> 0.226	- -> 0.245	- -> 0.08	- -> 3.33	24.0% -> 25.8%	5.9% -> 6.2%	-	-	-	-	15 -> 10	r_meas, refres_r_meas, refres_lowres_r_meas
lysoI_micromax_pink	inhouse	pass	P 41 21 2	1.42 -> 1.38	33.5 -> 35.1	7.4% -> 8.0%	1.000	0.09	- -> 0.275	- -> 0.297	- -> 0.08	- -> 2.47	6.3% -> 6.6%	3.1% -> 3.2%	-	-	-	-	17 -> 13	d_min, isa, r_meas, refres_r_meas
lyso_micromax_mono	inhouse	pass	P 41 21 2	1.20 -> 1.18	39.0 -> 39.9	4.9% -> 5.0%	1.000	0.16	- -> 0.234	- -> 0.249	- -> 0.15	- -> 4.53	4.6% -> 4.7%	2.5%	-	-	-	-	24 -> 20	completeness
lyso_micromax_pink	inhouse	pass	P 41 21 2	1.26 -> 1.20	35.7 -> 40.6	5.2% -> 5.1%	1.000	0.16	- -> 0.236	- -> 0.260	- -> 0.18	- -> 4.65	4.9% -> 4.8%	2.5% -> 2.4%	-	-	-	-	17 -> 14	d_min, isa, completeness, refres_isa
lyso_x06da_5keV	inhouse	pass	P 41 21 2	2.43	25.6 -> 28.2	6.6% -> 6.5%	0.999	0.29	- -> 0.282	- -> 0.297	- -> 0.17	- -> 5.83	5.9% -> 5.7%	5.4%	-	-	-	-	8 -> 6	isa, refres_isa
lyso_x06da_atten_wedge	inhouse	pass	P 41 21 2	1.16 -> 1.19	13.0 -> 13.1	35.8% -> 42.5%	0.999 -> 0.998	0.25	- -> 0.295	- -> 0.306	- -> 0.07	- -> 1.93	30.9% -> 35.8%	7.1% -> 6.9%	-	-	-	-	19 -> 17	d_min, r_meas, completeness, refres_r_meas
lyso_x06da_half_image	inhouse	pass	P 41 21 2	1.56 -> 1.57	7.3 -> 6.8	101.0% -> 118.0%	0.972 -> 0.969	0.71	- -> 0.278	- -> 0.289	- -> 0.06	- -> 0.83	94.7% -> 110.9%	25.6% -> 33.0%	-	-	-	-	47 -> 26	isa, r_meas, refres_r_meas, refres_isa, refres_lowres_r_meas, time
lyso_x10sa_90deg_1	inhouse	pass	P 41 21 2	1.86 -> 1.83	18.8 -> 20.7	18.1% -> 17.5%	0.997 -> 0.998	0.12	- -> 0.380	- -> 0.369	- -> 0.10	- -> 0.35	16.3% -> 15.2%	4.7% -> 4.5%	-	-	-	-	10 -> 8	isa, refres_r_meas, refres_isa
lyso_x10sa_90deg_2	inhouse	pass	P 41 21 2	1.88 -> 1.85	17.7 -> 19.0	17.7% -> 17.0%	0.998	0.16	- -> 0.378	- -> 0.372	- -> 0.10	- -> 0.56	16.2% -> 15.1%	4.8% -> 4.6%	-	-	-	-	9 -> 8	isa, refres_r_meas, refres_isa
lyso_x10sa_strong	inhouse	pass	P 41 21 2	1.37 -> 1.36	4.9 -> 5.5	24.0% -> 23.8%	0.996 -> 0.997	0.63	- -> 0.375	- -> 0.368	- -> 0.20	- -> 1.56	24.0% -> 23.8%	12.9% -> 11.4%	-	-	-	-	40 -> 36	isa, refres_isa, refres_lowres_r_meas
myob_x06da_powder_1	inhouse	pass	P 1 2 1 -> P 1 21 1	1.38 -> 1.73	2.4 -> 1.9	98.7% -> 76.4%	0.929 -> 0.765	0.02	- -> 0.520	- -> 0.572	- -> 0.23	- -> 0.38	83.4% -> 76.4%	17.0% -> 27.7%	-	-	-	-	16 -> 12	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	2.8 -> 2.5	151.9% -> 125.6%	0.888 -> 0.908	0.34	- -> 0.447	- -> 0.490	- -> 0.18	- -> 1.09	151.9% -> 125.6%	58.8% -> 45.9%	-	-	-	-	18 -> 12	space group, isa, r_meas, cc_half, refres_r_meas, refres_isa, refres_lowres_r_meas
myob_x06da_sparse	inhouse	pass	P 1 2 1 -> P 1 21 1	1.77	3.0	49.1% -> 45.7%	0.893 -> 0.902	0.44	- -> 0.398	- -> 0.365	- -> 0.13	- -> 0.89	41.8% -> 38.6%	19.9% -> 17.2%	-	-	-	-	40 -> 16	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 -> 1.96	3.1 -> 2.6	69.9% -> 71.2%	0.525 -> 0.920	0.21 -> 0.24	- -> 0.387	- -> 0.375	- -> 0.12	- -> 0.48	69.9% -> 71.2%	20.6% -> 24.4%	-	-	-	-	19 -> 12	d_min, isa, cc_half, refres_isa, refres_lowres_r_meas
myob_x10sa	inhouse	pass	P 1 21 1	1.62 -> 1.57	9.1 -> 10.2	18.4% -> 17.2%	0.994 -> 0.995	0.31	- -> 0.244	- -> 0.246	- -> 0.08	- -> 2.13	17.7% -> 16.0%	7.9% -> 7.6%	-	-	-	-	18 -> 14	d_min, isa, r_meas, refres_r_meas, refres_isa
thau_bl1a_3p8keV	inhouse	pass	P 41 21 2	3.02	17.4 -> 23.6	8.1% -> 7.3%	0.997 -> 0.998	0.02	- -> 0.185	- -> 0.188	- -> 0.03	- -> 8.91	7.4% -> 6.5%	6.9% -> 6.3%	-	-	-	-	10 -> 9	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 -> 38.2	7.0% -> 6.8%	0.999	0.08	- -> 0.183	- -> 0.175	- -> 0.03	- -> 8.53	6.6% -> 6.4%	5.2%	-	-	-	-	11 -> 8	isa, refres_isa
thau_bl1a_6p5keV	inhouse	pass	P 41 21 2	1.73	- -> 42.8	7.2% -> 7.5%	0.999	0.04	- -> 0.191	- -> 0.183	- -> 0.05	- -> 6.69	7.1% -> 7.3%	4.6%	-	-	-	-	15 -> 11	isa, refres_isa
thau_micromax_pink	inhouse	pass	P 41 21 2	1.28 -> 1.24	15.4 -> 15.9	8.6% -> 8.8%	0.999	0.13	- -> 0.190	- -> 0.213	- -> 0.20	- -> 4.02	8.6% -> 8.7%	4.9% -> 4.8%	-	-	-	-	21 -> 16	d_min, completeness
thau_x10sa_0p1deg	inhouse	pass	P 41 21 2	2.04 -> 1.91	7.0 -> 10.8	18.7% -> 14.4%	0.999 -> 0.998	0.23	- -> 0.236	- -> 0.232	- -> 0.03	- -> 1.26	18.4% -> 13.6%	9.1% -> 6.9%	-	-	-	-	23 -> 22	d_min, isa, r_meas, completeness, refres_r_meas, refres_isa, refres_lowres_r_meas
11if	open	pass	P 41	1.38 -> 1.36	25.5 -> 25.7	4.6% -> 4.8%	1.000	0.12	0.191 -> 0.192	0.200 -> 0.188	0.19 -> 0.13	- -> 2.92	-	-	-	-	-	-	14 -> 12	completeness, radial_misfit, rfree
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 -> 40.37	0.549 -> 0.580	0.535 -> 0.571	0.07 -> 0.14	- -> -0.15	-	-	-	-	-	-	52 -> 46	verdict pass->fail, space group, d_min, isa, r_meas, cell_dev_pct, rmodel_shell_scaled, radial_misfit, rfree
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	- -> 11.95	-	-	-	-	-	-	67 -> 36	r_meas, rmodel_shell_scaled, rfree, time
5j23	open	pass	R 3:H	2.17	11.5 -> 11.6	15.2% -> 15.4%	0.996	0.15	0.227 -> 0.226	0.234	0.13 -> 0.14	- -> 0.86	-	-	-	-	-	-	62 -> 34	time
5jvn	open	pass	P 6 2 2	2.24	15.6	16.3%	0.998 -> 0.999	0.03	0.234 -> 0.228	0.250 -> 0.249	0.14	- -> 1.36	-	-	-	-	-	-	40 -> 42	rmodel_shell_scaled
5ky6	open	pass	P 1 21 1	1.55 -> 1.54	7.2 -> 6.1	27.3% -> 25.4%	0.987 -> 0.986	0.64	0.245 -> 0.233	0.249 -> 0.243	0.11 -> 0.12	- -> 0.55	-	-	-	-	-	-	92 -> 91	isa, r_meas, rmodel_shell_scaled, rfree
5m17	open	pass	I 4	0.98	16.0 -> 16.2	6.0% -> 5.5%	0.994 -> 0.996	0.08	0.132	0.159 -> 0.158	0.23 -> 0.22	- -> 7.09	-	-	-	-	-	-	102 -> 97	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	- -> 2.17	-	-	-	-	-	-	45 -> 22	time
5nw5	open	pass	P 21 21 21	7.10 -> 7.07	8.8 -> 7.7	32.0% -> 33.3%	0.936 -> 0.927	0.19	0.401 -> 0.395	0.440 -> 0.448	0.36 -> 0.25	- -> 0.09	-	-	-	-	-	-	47 -> 46	isa, cc_half, rmodel_shell_scaled, radial_misfit, rfree
5t39	open	pass	P 1 21 1	1.01	16.0 -> 16.2	7.0% -> 7.3%	0.998	0.13	0.152 -> 0.151	0.165 -> 0.156	0.17 -> 0.09	- -> 6.47	-	-	-	-	-	-	75 -> 71	r_meas, radial_misfit, rfree
6cdl	open	pass	P 21 21 2	1.15 -> 1.13	11.2 -> 11.6	8.2% -> 7.8%	0.996 -> 0.997	1.22	0.150 -> 0.147	0.174 -> 0.159	0.28 -> 0.23	- -> 4.60	-	-	-	-	-	-	57 -> 49	r_meas, completeness, rfree
6f3p	open	pass	C 1 2 1	1.13	9.4	10.6% -> 10.0%	0.997	0.12	0.144 -> 0.143	0.167 -> 0.169	0.18 -> 0.21	- -> -3.42	-	-	-	-	-	-	130 -> 128	r_meas
6fwc	open	pass	C 2 2 2	1.41	27.2 -> 27.3	16.4%	0.995	0.04	0.189 -> 0.188	0.197 -> 0.196	0.10	- -> 1.44	-	-	-	-	-	-	48 -> 26	time
6h2p_1p89A	open	pass	C 2 2 21	1.76	22.5 -> 22.8	8.3% -> 8.5%	0.999	0.03	0.144 -> 0.143	0.154 -> 0.149	0.11 -> 0.08	- -> 9.20	-	-	-	-	-	-	172 -> 217	rfree, time
6h2p_native	open	pass	C 2 2 21	1.32	19.9 -> 20.0	13.7%	0.999	0.04	0.170 -> 0.161	0.174 -> 0.165	0.08 -> 0.07	- -> 3.33	-	-	-	-	-	-	110 -> 113	rmodel_shell_scaled, rfree
6h5t	open	pass	I 4 2 2	1.48	9.2 -> 9.3	15.2% -> 14.6%	0.996	0.40	0.203 -> 0.196	0.218 -> 0.222	0.13 -> 0.19	- -> 9.00	-	-	-	-	-	-	35	rmodel_shell_scaled, radial_misfit
6hv2	open	pass	P 61 2 2	1.42 -> 1.41	13.6 -> 13.7	18.1% -> 19.8%	1.000	0.04	0.235 -> 0.219	0.247 -> 0.239	0.46 -> 0.28	- -> 7.83	-	-	-	-	-	-	37 -> 32	r_meas, rmodel_shell_scaled, radial_misfit, rfree
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 -> 0.237	0.16 -> 0.17	- -> 1.73	-	-	-	-	-	-	83 -> 75	cc_half
6iu6	open	pass	P 31	2.38 -> 2.36	7.0 -> 7.2	14.2% -> 11.5%	0.992 -> 0.996	0.33	0.221	0.234 -> 0.233	0.19 -> 0.17	- -> 3.54	-	-	-	-	-	-	87 -> 91	r_meas
6iu9	open	pass	P 31	2.73 -> 2.74	5.3 -> 5.4	18.0% -> 14.4%	0.989 -> 0.993	0.22	0.306 -> 0.310	0.316 -> 0.327	0.11 -> 0.10	- -> 1.43	-	-	-	-	-	-	129 -> 86	r_meas, rfree, time
6jgh	open	pass	P 21 21 21	0.87	6.7 -> 6.6	22.7% -> 23.4%	0.989 -> 0.990	0.39	0.148 -> 0.136	0.169 -> 0.156	0.19 -> 0.17	- -> 2.07	-	-	-	-	-	-	105 -> 104	rmodel_shell_scaled, rfree
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	- -> 1.05	-	-	-	-	-	-	124 -> 125	rmodel_shell_scaled, radial_misfit, rfree
6nen	open	pass	P 3 1 2	1.72 -> 1.77	6.3	26.9% -> 28.5%	0.997	0.07	0.210 -> 0.211	0.212 -> 0.218	0.08 -> 0.05	- -> 1.00	-	-	-	-	-	-	24 -> 19	d_min, r_meas, rfree
6o2h	open	pass	P 1	1.10	20.8 -> 23.9	7.2% -> 7.0%	0.978 -> 0.977	0.74	0.099 -> 0.096	0.131 -> 0.129	0.21 -> 0.13	- -> 0.11	-	-	-	-	-	-	16 -> 13	isa, radial_misfit
6oel	open	pass	F 41 3 2	2.85	9.9	36.6% -> 36.5%	0.998	0.00	0.248	0.255	0.14	- -> 0.70	-	-	-	-	-	-	57 -> 40	time
6p8p	open	pass	P 4	1.47 -> 1.46	15.3 -> 15.5	12.4% -> 13.2%	0.998	0.14	0.192 -> 0.189	0.209 -> 0.204	0.18 -> 0.14	- -> 1.89	-	-	-	-	-	-	25 -> 20	r_meas
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	- -> 0.62	-	-	-	-	-	-	38 -> 16	radial_misfit, time
6pxc	open	pass	I 2 2 2	1.43 -> 1.41	10.1 -> 10.2	8.5% -> 8.1%	0.996 -> 0.998	0.23	0.209 -> 0.210	0.215 -> 0.214	0.17 -> 0.16	- -> 0.69	-	-	-	-	-	-	36 -> 32	completeness
6qaj	open	pass	C 2 2 21	2.70	13.1 -> 13.2	24.6% -> 24.4%	0.997	0.41	0.376 -> 0.321	0.390 -> 0.332	0.48 -> 0.23	- -> 4.46	-	-	-	-	-	-	67 -> 65	rmodel_shell_scaled, radial_misfit, rfree
6r72	open	pass	P 1 21 1	4.39	15.7 -> 17.9	14.8% -> 16.5%	0.999 -> 1.000	1.32	0.374 -> 0.362	0.383 -> 0.367	0.06 -> 0.04	- -> 0.13	-	-	-	-	-	-	29 -> 26	isa, r_meas, rmodel_shell_scaled, rfree
6rlr	open	pass	P 1	2.07 -> 1.92	13.2 -> 16.4	11.0% -> 12.9%	0.998	0.03	0.249 -> 0.250	0.258 -> 0.254	0.08 -> 0.07	- -> 0.68	-	-	-	-	-	-	18	d_min, isa, r_meas
6s1u	open	pass	P 1 21 1	1.75	13.7 -> 13.8	22.4% -> 22.3%	0.993 -> 0.989	0.13	0.204 -> 0.202	0.208 -> 0.200	0.09	- -> 0.60	-	-	-	-	-	-	36 -> 13	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 -> 0.270	0.14	- -> 0.54	-	-	-	-	-	-	49 -> 11	time
6u7g	open	pass	P 1 21 1	1.92 -> 1.88	13.2 -> 13.3	8.3% -> 8.0%	0.998	0.13	0.201 -> 0.198	0.206 -> 0.200	0.14 -> 0.11	- -> 1.57	-	-	-	-	-	-	70 -> 71	d_min, completeness, rfree
6ukf	open	pass	P 1 21 1	0.95 -> 0.96	9.4 -> 9.8	10.7% -> 9.5%	0.997 -> 0.998	0.07 -> 0.08	0.166 -> 0.165	0.162 -> 0.161	0.09 -> 0.07	- -> 2.26	-	-	-	-	-	-	54 -> 48	r_meas
6vww	open	pass	P 63	2.00 -> 1.99	8.6 -> 8.0	15.9% -> 16.4%	0.993	0.20	0.239 -> 0.240	0.241 -> 0.243	0.10 -> 0.12	- -> 0.67	-	-	-	-	-	-	24 -> 15	isa
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	- -> 2.68	-	-	-	-	-	-	57 -> 54	d_min, r_meas, completeness, radial_misfit, rfree
6yqf	open	pass	P 21 21 2	3.05 -> 3.02	3.9 -> 4.2	50.3% -> 70.0%	0.988 -> 0.982	0.71	0.432 -> 0.434	0.470 -> 0.442	0.33 -> 0.16	- -> -0.20	-	-	-	-	-	-	24 -> 23	isa, r_meas, cc_half, radial_misfit, rfree
6z8o	open	pass	P 1 21 1	2.23 -> 2.21	13.8 -> 13.9	17.1% -> 17.4%	0.995	0.63	0.290 -> 0.276	0.295 -> 0.281	0.09 -> 0.07	- -> 1.24	-	-	-	-	-	-	62 -> 64	rmodel_shell_scaled, rfree
6ze4	open	pass	P 21 21 21	1.30	9.2 -> 9.3	20.4% -> 20.2%	0.992 -> 0.993	0.59	0.232 -> 0.213	0.237 -> 0.218	0.11 -> 0.08	- -> 1.79	-	-	-	-	-	-	73 -> 75	rmodel_shell_scaled, rfree
6zqr	open	pass	P 4	1.79 -> 1.76	8.7 -> 9.1	19.6% -> 19.3%	0.996	0.40	0.190 -> 0.197	0.198 -> 0.204	0.12 -> 0.17	- -> 1.35	-	-	-	-	-	-	45 -> 17	rmodel_shell_scaled, rfree, time
6zqy	open	pass	P 4	1.72 -> 1.70	13.8 -> 12.7	18.5% -> 23.3%	0.997 -> 0.994	0.12	0.212 -> 0.213	0.226 -> 0.222	0.20 -> 0.16	- -> 1.36	-	-	-	-	-	-	62 -> 32	isa, r_meas, time
6zr0	open	pass	P 4	1.73 -> 1.66	24.3 -> 24.5	11.1% -> 13.1%	0.997 -> 0.993	0.08	0.217 -> 0.216	0.224 -> 0.218	0.14 -> 0.07	- -> 1.80	-	-	-	-	-	-	61 -> 57	d_min, r_meas, completeness, radial_misfit, rfree
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 -> 0.166	0.27 -> 0.20	- -> 0.00	-	-	-	-	-	-	41 -> 35	isa, r_meas, cc_half, radial_misfit, rfree
7atg	open	pass	P 21 21 21	0.60	22.5 -> 22.9	5.1% -> 5.2%	0.995	0.08	0.135 -> 0.127	0.199 -> 0.176	0.23 -> 0.20	- -> 6.47	-	-	-	-	-	-	41 -> 28	rmodel_shell_scaled, rfree, time
7bgt	open	pass	P 1	1.77 -> 1.78	14.7 -> 17.4	15.0% -> 13.7%	0.989 -> 0.993	0.32	0.197 -> 0.195	0.207	0.12	- -> 0.23	-	-	-	-	-	-	32 -> 12	isa, r_meas, time
7brr	open	pass	P 1 21 1	1.27 -> 1.24	15.8 -> 16.6	6.5% -> 6.6%	0.999	0.09	0.191 -> 0.192	0.195 -> 0.191	0.15 -> 0.10	- -> 3.07	-	-	-	-	-	-	25 -> 17	d_min, completeness, radial_misfit
7mzt	open	fail -> unscored	P 21 21 21	3.25 -> 3.12	3.4 -> 4.1	269.6% -> 366.1%	0.968 -> 0.971	0.56	0.452 -> 0.414	0.466 -> 0.426	0.16 -> 0.10	- -> -0.04	-	-	-	-	-	-	37 -> 33	verdict fail->unscored, d_min, isa, r_meas, rmodel_shell_scaled, radial_misfit, rfree
7n0i	open	pass	P 21 21 21	1.65 -> 1.68	10.7 -> 10.9	14.0% -> 14.5%	0.998	0.22	0.290 -> 0.267	0.310 -> 0.295	0.36 -> 0.26	- -> 0.53	-	-	-	-	-	-	58 -> 27	rmodel_shell_scaled, radial_misfit, rfree, time
7n2s	open	pass	P 1 21 1	2.57 -> 2.56	9.6	52.8% -> 56.7%	0.903 -> 0.917	0.07	0.315 -> 0.299	0.334 -> 0.312	0.14 -> 0.11	- -> 0.34	-	-	-	-	-	-	42 -> 12	r_meas, cc_half, rmodel_shell_scaled, rfree, time
7orr	open	pass	I 2 3	1.65 -> 1.62	25.5 -> 26.5	6.4% -> 6.7%	1.000	0.03	0.181 -> 0.183	0.190 -> 0.196	0.14 -> 0.16	- -> 5.08	-	-	-	-	-	-	23 -> 20	r_meas, rfree
7ou1	open	pass	P 1 21 1	1.41 -> 1.40	9.5 -> 9.0	16.1% -> 15.9%	0.991	0.04	0.206 -> 0.202	0.211 -> 0.209	0.09 -> 0.10	- -> 1.52	-	-	-	-	-	-	44 -> 22	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	- -> 3.21	-	-	-	-	-	-	87 -> 77	rmodel_shell_scaled
7pq7	open	pass	C 1 2 1	1.38 -> 1.37	13.7 -> 14.0	7.1% -> 6.5%	0.998	0.22	0.189 -> 0.188	0.209 -> 0.215	0.18 -> 0.19	- -> 2.32	-	-	-	-	-	-	16 -> 14	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	- -> 0.18	-	-	-	-	-	-	94 -> 92	rmodel_shell_scaled, rfree
7ris	open	pass	P 31 2 1	1.51	30.2 -> 31.0	10.0%	1.000	0.08	0.196 -> 0.188	0.195 -> 0.189	0.03 -> 0.05	- -> 2.26	-	-	-	-	-	-	29 -> 24	rmodel_shell_scaled, rfree
7tcd	open	pass	C 1 2 1	1.72 -> 1.65	15.0 -> 18.4	10.0% -> 8.6%	0.999	0.20	0.205 -> 0.191	0.211	0.14 -> 0.20	- -> 1.17	-	-	-	-	-	-	32 -> 28	d_min, isa, r_meas, completeness, rmodel_shell_scaled, radial_misfit
8a1a	open	pass	P 61	1.95 -> 1.93	17.9 -> 18.8	41.5% -> 52.0%	0.998 -> 0.997	0.42	0.171 -> 0.177	0.177 -> 0.179	0.06 -> 0.03	- -> 1.82	-	-	-	-	-	-	100 -> 94	r_meas, rmodel_shell_scaled
8agq	open	pass	C 1 2 1	0.97	14.0 -> 14.1	9.8% -> 9.2%	0.998 -> 0.999	0.30	0.180 -> 0.181	0.204	0.21	- -> 6.46	-	-	-	-	-	-	29 -> 26	r_meas
8dqb	open	pass	I 2 3	2.06 -> 2.05	22.3 -> 22.1	13.5% -> 14.3%	0.996	0.08	0.230	0.240 -> 0.237	0.13 -> 0.11	- -> 3.08	-	-	-	-	-	-	26 -> 14	r_meas, time
8dz7	open	pass	P 21 21 21	1.19	33.7 -> 35.1	3.2% -> 3.0%	0.998 -> 0.999	0.08	0.119 -> 0.118	0.129 -> 0.128	0.07	- -> 5.14	-	-	-	-	-	-	15 -> 10	r_meas
8egn	open	pass	P 21 21 21	1.64 -> 1.63	22.7 -> 22.9	6.1% -> 6.3%	0.999	0.07	0.200 -> 0.197	0.214 -> 0.215	0.16 -> 0.15	- -> 2.53	-	-	-	-	-	-	15 -> 14	completeness
8k1g	open	pass	I 4 2 2	1.63	11.6 -> 11.7	25.7% -> 25.6%	0.999	0.82	0.219 -> 0.206	0.236 -> 0.227	0.23 -> 0.20	- -> 2.26	-	-	-	-	-	-	48 -> 43	rmodel_shell_scaled, rfree
8oic	open	pass	P 1	2.37 -> 2.34	19.6 -> 20.0	20.4% -> 24.4%	0.991 -> 0.988	0.02	0.234 -> 0.238	0.250 -> 0.248	0.15 -> 0.11	- -> 0.41	-	-	-	-	-	-	42	r_meas
8qj5	open	pass	P 1 21 1	1.35 -> 1.29	8.4	17.1% -> 17.7%	0.996	0.45	0.189 -> 0.192	0.203 -> 0.206	0.14 -> 0.12	- -> 1.50	-	-	-	-	-	-	59 -> 20	d_min, completeness, time
8qq7	open	pass	P 62 2 2	3.16	6.3 -> 6.4	18.8% -> 19.0%	0.993 -> 0.997	0.65	0.457 -> 0.432	0.464 -> 0.429	0.50 -> 0.37	- -> 0.75	-	-	-	-	-	-	17 -> 13	rmodel_shell_scaled, radial_misfit, rfree
8r5r	open	pass	P 21 21 21	2.89 -> 2.80	15.1 -> 19.3	27.8% -> 22.7%	0.997 -> 0.998	0.11 -> 0.04	0.274 -> 0.263	0.290 -> 0.284	0.14	- -> 0.43	-	-	-	-	-	-	35 -> 30	d_min, isa, r_meas, rmodel_shell_scaled, rfree
8rud	open	pass	P 1 21 1	1.70 -> 1.57	12.3 -> 11.9	29.5% -> 37.8%	0.992 -> 0.991	0.40	0.244 -> 0.253	0.255 -> 0.261	0.11 -> 0.08	- -> 0.69	-	-	-	-	-	-	284 -> 236	d_min, r_meas, rmodel_shell_scaled, rfree
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 -> 94	rfree
8sqo	open	pass	P 4 3 2	1.33 -> 1.32	14.2	22.1% -> 23.4%	1.000	0.13	0.183	0.211 -> 0.206	0.20 -> 0.18	- -> 7.02	-	-	-	-	-	-	72	r_meas, rfree
8sqt	open	pass	F 4 3 2	1.89 -> 1.88	29.6 -> 29.9	18.9% -> 20.1%	0.999	0.11	0.221 -> 0.223	0.224 -> 0.226	0.12 -> 0.11	- -> 2.08	-	-	-	-	-	-	30 -> 28	r_meas
8t7r	open	pass	C 1 2 1	3.22 -> 3.23	9.9 -> 7.8	35.3% -> 31.2%	0.984	0.28	0.288 -> 0.283	0.288 -> 0.285	0.06 -> 0.08	- -> 0.43	-	-	-	-	-	-	66 -> 63	isa, r_meas
8tha	open	pass	P 62	1.34 -> 1.33	25.9 -> 27.7	13.7% -> 16.3%	1.000 -> 0.999	0.17	0.208 -> 0.212	0.225 -> 0.220	0.16 -> 0.09	- -> 4.37	-	-	-	-	-	-	23 -> 19	isa, r_meas, radial_misfit
8u0i	open	pass	P 41 21 2	1.40 -> 1.38	16.1 -> 17.0	7.9% -> 8.1%	0.999	0.06	0.176 -> 0.179	0.180 -> 0.183	0.07 -> 0.05	- -> 3.37	-	-	-	-	-	-	24 -> 18	isa
8v4o	open	pass	P 61 2 2	2.10	15.5	31.9%	0.998	0.06	0.241 -> 0.236	0.253	0.16	- -> 0.96	-	-	-	-	-	-	92 -> 63	time
8xbp	open	pass	C 1 2 1	1.72 -> 1.66	16.2 -> 18.6	10.8% -> 11.2%	0.999	0.15	0.315 -> 0.313	0.325 -> 0.329	0.15 -> 0.18	- -> 1.21	-	-	-	-	-	-	22 -> 21	d_min, isa, completeness
8xtf	open	pass	R 3 2:H	1.84	7.5 -> 7.6	85.8% -> 73.3%	0.987 -> 0.989	0.22	0.191	0.185 -> 0.186	0.04	- -> 1.40	-	-	-	-	-	-	38 -> 31	r_meas
8y74	open	pass	C 1 2 1	1.71 -> 1.68	8.8 -> 8.6	12.3% -> 13.0%	0.997	0.34	0.212 -> 0.214	0.224 -> 0.225	0.12 -> 0.10	- -> 1.23	-	-	-	-	-	-	24 -> 11	r_meas, time
8ys9	open	pass	P 21 21 21	1.35 -> 1.31	15.4	11.0% -> 13.3%	0.999	0.16	0.173 -> 0.176	0.191 -> 0.188	0.14 -> 0.10	- -> 3.11	-	-	-	-	-	-	31 -> 29	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	- -> 0.16	-	-	-	-	-	-	21 -> 17	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 -> 0.10	- -> 3.77	-	-	-	-	-	-	30 -> 27	r_meas, radial_misfit, rfree
9c18	open	pass	P 1	1.76 -> 1.71	10.2 -> 10.8	23.4% -> 27.3%	0.988 -> 0.986	0.61	0.222 -> 0.221	0.221	0.06 -> 0.07	- -> 0.71	-	-	-	-	-	-	13 -> 11	d_min, isa, r_meas
9crw	open	pass	P 1 21 1	2.29 -> 2.28	15.5 -> 15.8	8.7%	0.999	0.23	0.257 -> 0.247	0.271 -> 0.262	0.14 -> 0.13	- -> 0.69	-	-	-	-	-	-	19 -> 16	rmodel_shell_scaled, rfree
9e2t	open	pass	P 1	2.33 -> 2.29	6.9 -> 6.8	28.1% -> 29.1%	0.990 -> 0.992	0.06	0.248 -> 0.230	0.254 -> 0.232	0.11 -> 0.05	- -> 0.42	-	-	-	-	-	-	70 -> 67	rmodel_shell_scaled, radial_misfit, rfree
9fcf	open	pass	P 4	1.81 -> 1.75	7.8 -> 7.0	28.6% -> 34.5%	0.995 -> 0.994	0.04	0.285 -> 0.292	0.293 -> 0.295	0.06	- -> 0.85	-	-	-	-	-	-	142 -> 146	d_min, isa, r_meas, rmodel_shell_scaled
9fcg	open	pass	P 4	1.39 -> 1.38	9.3 -> 9.7	15.4% -> 14.1%	0.996 -> 0.997	0.10 -> 0.07	0.179 -> 0.180	0.184 -> 0.189	0.09 -> 0.11	- -> 2.42	-	-	-	-	-	-	138 -> 48	r_meas, time
9fhc	open	pass	I 2 3	1.97 -> 1.92	11.6 -> 12.3	22.4% -> 17.0%	0.995 -> 0.998	0.25	0.245 -> 0.239	0.250 -> 0.244	0.04 -> 0.07	- -> 1.20	-	-	-	-	-	-	104 -> 107	d_min, isa, r_meas, completeness, rmodel_shell_scaled, rfree
9gdj	open	pass	P 41 21 2	1.40	12.8 -> 12.9	10.9% -> 11.2%	0.999	0.16	0.153 -> 0.154	0.178 -> 0.172	0.24 -> 0.20	- -> 2.89	-	-	-	-	-	-	355 -> 289	rfree
9gjx	open	pass	P 1 21 1	2.15 -> 2.06	35.2 -> 40.1	12.5% -> 16.3%	0.999 -> 0.997	0.13	0.188 -> 0.193	0.225 -> 0.224	0.18 -> 0.15	- -> 0.84	-	-	-	-	-	-	33 -> 28	d_min, isa, r_meas, completeness
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 -> 44	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 -> 66	verdict pass->fail, space group, isa, r_meas, cc_half, completeness, rmodel_shell_scaled, rfree
9hs7	open	pass	P 61	1.68 -> 1.70	13.3	11.8% -> 11.7%	0.999	0.08	0.251 -> 0.213	0.279 -> 0.236	0.58 -> 0.21	- -> 1.26	-	-	-	-	-	-	27 -> 26	rmodel_shell_scaled, radial_misfit, rfree
9i0a	open	pass	P 21 21 2	1.81	13.8 -> 14.1	16.8% -> 16.9%	0.999	0.43	0.228 -> 0.224	0.239 -> 0.233	0.17 -> 0.12	- -> 0.95	-	-	-	-	-	-	59	radial_misfit, rfree
9i80	open	pass	P 41	1.61 -> 1.59	6.7 -> 6.8	23.2% -> 25.1%	0.991 -> 0.992	0.07	0.216 -> 0.219	0.221	0.15 -> 0.12	- -> 1.89	-	-	-	-	-	-	158 -> 116	r_meas, time
9ig7	open	pass	P 21 21 2	2.03 -> 2.02	11.0 -> 11.1	18.7% -> 21.7%	0.991	0.17	0.235 -> 0.234	0.255 -> 0.249	0.18 -> 0.08	- -> 0.80	-	-	-	-	-	-	85 -> 82	r_meas, radial_misfit, rfree
9jzo	open	pass	P 1	1.15	8.4 -> 8.1	9.2% -> 5.8%	0.994 -> 0.997	0.22	0.175 -> 0.179	0.175 -> 0.176	0.08 -> 0.05	- -> 4.39	-	-	-	-	-	-	17 -> 11	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	- -> 2.02	-	-	-	-	-	-	33 -> 13	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 -> 0.575	0.20 -> 0.21	- -> -0.00	-	-	-	-	-	-	77 -> 73	rmodel_shell_scaled
9o0h	open	pass	P 21 21 21	2.01 -> 2.02	6.1 -> 5.8	52.6% -> 65.1%	0.985	0.25	0.247 -> 0.242	0.255 -> 0.249	0.04 -> 0.08	- -> 0.11	-	-	-	-	-	-	64 -> 59	isa, r_meas, rmodel_shell_scaled, rfree
9p7q	open	pass	C 1 2 1	1.81 -> 1.76	10.6 -> 10.8	25.7% -> 23.8%	0.988 -> 0.985	0.14	0.270 -> 0.269	0.285 -> 0.282	0.03 -> 0.04	- -> 0.87	-	-	-	-	-	-	15 -> 12	d_min, r_meas, completeness
9pbb	open	pass	C 1 2 1	1.83 -> 1.78	14.5 -> 17.0	20.7% -> 19.1%	0.995 -> 0.993	0.15	0.236 -> 0.233	0.236 -> 0.231	0.04	- -> 0.67	-	-	-	-	-	-	19 -> 16	d_min, isa, r_meas, completeness
9q41	open	pass	C 2 2 21	1.69 -> 1.68	7.8 -> 7.9	27.3% -> 29.0%	0.984	0.20	0.187 -> 0.188	0.191 -> 0.194	0.09 -> 0.10	- -> 0.48	-	-	-	-	-	-	57 -> 23	r_meas, time
9q66	open	pass	P 1 21 1	2.04 -> 2.03	13.0 -> 13.1	31.7% -> 32.1%	0.990	0.34	0.204	0.216	0.09 -> 0.08	- -> 0.66	-	-	-	-	-	-	68 -> 30	time
9qw8	open	pass	P 1	1.59 -> 1.71	11.3 -> 9.2	14.6% -> 20.0%	0.994 -> 0.989	0.12 -> 0.46	0.237 -> 0.294	0.248 -> 0.312	0.10 -> 0.15	- -> 0.33	-	-	-	-	-	-	73 -> 66	d_min, isa, r_meas, cc_half, cell_dev_pct, rmodel_shell_scaled, radial_misfit, rfree
9rci	open	pass	P 1	1.82 -> 1.76	6.0 -> 7.0	29.4% -> 29.6%	0.942 -> 0.951	97.59 -> 97.58	0.576 -> 0.561	0.571 -> 0.555	0.09 -> 0.08	- -> -0.02	-	-	-	-	-	-	25 -> 22	d_min, isa, cc_half, rmodel_shell_scaled, rfree
9rcs	open	pass	P 1 21 1	3.37 -> 3.27	6.0 -> 7.3	24.3% -> 23.4%	0.992 -> 0.994	0.93	0.383 -> 0.318	0.442 -> 0.341	0.19 -> 0.12	- -> 0.38	-	-	-	-	-	-	55 -> 51	d_min, isa, rmodel_shell_scaled, radial_misfit, rfree
9rp9	open	pass	C 1 2 1	1.91 -> 1.90	28.8 -> 32.7	16.1% -> 17.4%	0.997	0.16	0.206 -> 0.204	0.224 -> 0.233	0.08 -> 0.14	- -> 2.47	-	-	-	-	-	-	23 -> 25	isa, r_meas, 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	0.245	0.256 -> 0.255	0.15 -> 0.16	- -> 2.20	-	-	-	-	-	-	50 -> 45	r_meas
9t6s	open	pass	P 21 21 21	1.76 -> 1.75	24.9 -> 29.9	10.5% -> 11.2%	0.999	0.06	0.220 -> 0.215	0.236 -> 0.232	0.03 -> 0.04	- -> 2.51	-	-	-	-	-	-	28 -> 12	isa, r_meas, time
9upt	open	pass	P 6	2.03	6.4 -> 6.5	25.9% -> 24.4%	0.988 -> 0.989	0.20	0.227 -> 0.218	0.229 -> 0.218	0.08 -> 0.09	- -> 1.31	-	-	-	-	-	-	76 -> 77	r_meas, rmodel_shell_scaled, rfree
9vyb	open	pass	P 21 21 21	1.71 -> 1.67	16.7 -> 22.1	8.0% -> 8.2%	1.000 -> 0.999	0.40	0.245 -> 0.246	0.258 -> 0.253	0.07 -> 0.08	- -> 0.42	-	-	-	-	-	-	41 -> 34	d_min, isa, completeness, rfree
9w3y	open	pass	P 21 21 21	1.20 -> 1.19	19.9 -> 20.2	23.4% -> 24.7%	0.997	0.25	0.186 -> 0.187	0.200 -> 0.198	0.11 -> 0.09	- -> 4.93	-	-	-	-	-	-	17 -> 11	r_meas
9yl4	open	pass	P 21 21 21	3.61	9.5	32.0% -> 31.8%	0.985 -> 0.996	0.08	0.295 -> 0.293	0.306 -> 0.303	0.07	- -> 5.75	-	-	-	-	-	-	85 -> 90	cc_half
9yzk	open	pass	I 1 2 1	3.86 -> 3.87	7.8 -> 9.3	29.7% -> 30.9%	0.996 -> 0.997	0.20	0.375 -> 0.355	0.394 -> 0.406	0.29	- -> 0.18	-	-	-	-	-	-	15 -> 12	isa, rmodel_shell_scaled, rfree
9z44	open	pass	I 1 2 1	6.86 -> 6.73	5.9 -> 8.5	26.6% -> 22.3%	0.953 -> 0.981	1.35	0.336 -> 0.334	0.325 -> 0.324	0.17 -> 0.16	- -> -0.03	-	-	-	-	-	-	32 -> 27	isa, r_meas, cc_half
9z72	open	pass	P 31 2 1	1.97 -> 2.00	11.8	76.6% -> 80.3%	0.991	0.15	0.241 -> 0.240	0.256 -> 0.255	0.06 -> 0.05	- -> 0.57	-	-	-	-	-	-	152 -> 44	time
9zlo	open	pass	P 21 21 21	1.58 -> 1.56	23.0 -> 24.1	12.0% -> 12.3%	0.999	0.39	0.235 -> 0.224	0.241 -> 0.231	0.05 -> 0.07	- -> 1.75	-	-	-	-	-	-	26 -> 25	rmodel_shell_scaled, rfree
9zm0	open	pass	P 1 21 1	1.81 -> 1.80	8.6 -> 9.0	23.7% -> 25.0%	0.996	0.16	0.262 -> 0.255	0.283 -> 0.275	0.12 -> 0.10	- -> 4.59	-	-	-	-	-	-	11 -> 9	r_meas, rmodel_shell_scaled, rfree
9zmu	open	pass	P 61 2 2	1.71 -> 1.72	10.8 -> 11.6	34.0% -> 30.1%	0.999	0.25	0.276 -> 0.278	0.285 -> 0.284	0.17 -> 0.15	- -> 0.89	-	-	-	-	-	-	39 -> 31	isa, r_meas
cuhf2	open	unscored	P 2 2 2 -> P 4 2 2	0.52 -> 0.51	3.8 -> 45.5	17.4% -> 2.8%	0.988 -> 1.000	-	-	-	-	-	-	-	-	-	-	-	56 -> 32	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 -> 0.1762	1.124 -> 1.061	0.096 -> 0.039	29 -> 24	isa, r_meas, cc_half, SHELXL r1, SHELXL wr2, SHELXL goof, SHELXL exti
dnba	open	pass	C 1 2/c 1	0.81	4.3 -> 36.8	16.7% -> 2.5%	0.979 -> 1.000	0.06	-	-	-	-	-	-	0.0607 -> 0.0266	0.1531 -> 0.0706	1.036 -> 1.072	0.004 -> 0.002	10 -> 6	isa, r_meas, cc_half, SHELXL r1, SHELXL wr2, SHELXL goof
lalanine	open	pass	P 21 21 21	0.65	7.5 -> 42.4	12.1% -> 2.6%	0.994 -> 1.000	0.07	-	-	-	-	-	-	0.0759 -> 0.0311	0.2201 -> 0.0939	1.147 -> 1.150	0.027 -> 0.000	14 -> 9	isa, r_meas, cc_half, SHELXL r1, SHELXL wr2, SHELXL exti
metformin	open	pass	P 1 21/c 1	0.51	13.6 -> 30.8	6.4% -> 3.1%	0.998 -> 1.000	0.17	-	-	-	-	-	-	0.0527 -> 0.0322	0.1569 -> 0.0960	1.073 -> 1.101	0.000	8 -> 5	isa, r_meas, SHELXL r1, SHELXL wr2
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 -> 0.1022	1.046 -> 1.036	0.006 -> 0.004	9 -> 5	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%	- -> 0.0363	- -> 0.1095	- -> 1.100	- -> 0.009	- -> 9	only in B
aspirin_x10sa_25keV	inhouse	- -> pass	- -> P 1 21/c 1	- -> 0.53	- -> 36.4	- -> 3.1%	- -> 1.000	- -> 0.05	-	-	-	-	- -> 3.1%	- -> 2.2%	- -> 0.0358	- -> 0.1165	- -> 1.077	- -> 0.012	- -> 11	only in B
citricacid_x10sa_20keV	inhouse	- -> pass	- -> P 1 21/c 1	- -> 0.67	- -> 24.1	- -> 3.6%	- -> 0.999	- -> 0.10	-	-	-	-	- -> 3.6%	- -> 3.8%	- -> 0.0374	- -> 0.1026	- -> 1.092	- -> 0.149	- -> 11	only in B
hepes_x10sa_20keV	inhouse	- -> pass	- -> P b c a	- -> 0.66	- -> 39.6	- -> 2.6%	- -> 1.000	- -> 0.07	-	-	-	-	- -> 2.6%	- -> 3.5%	- -> 0.0310	- -> 0.0895	- -> 1.061	- -> 0.053	- -> 12	only in B
kdp_x10sa_20keV	inhouse	- -> fail	- -> I 41 m d	- -> 0.66	- -> 25.1	- -> 5.2%	- -> 0.999	- -> 0.07	-	-	-	-	- -> 5.0%	- -> 4.7%	- -> 0.0475	- -> 0.1208	- -> 1.363	- -> 0.028	- -> 93	only in B
lcystine_x10sa_20keV	inhouse	- -> pass	- -> P 61 2 2	- -> 0.67	- -> 5.7	- -> 30.6%	- -> 1.000	- -> 0.49	-	-	-	-	-	-	- -> 0.1575	- -> 0.3812	- -> 1.457	- -> 0.000	- -> 57	only in B
lcystine_x10sa_25keV	inhouse	- -> pass	- -> P 61 2 2	- -> 0.53	- -> 5.5	- -> 26.7%	- -> 1.000	- -> 0.52	-	-	-	-	-	-	- -> 0.1397	- -> 0.3903	- -> 1.465	- -> 0.000	- -> 23	only in B
yag_x10sa_20keV	inhouse	- -> pass	- -> I a -3 d	- -> 0.67	- -> 3.0	- -> 39.4%	- -> 0.702	- -> 0.03	-	-	-	-	- -> 39.4%	- -> 41.8%	- -> 0.1021	- -> 0.2472	- -> 1.142	- -> 0.584	- -> 17	only in B
2wnn	open	- -> pass	- -> P 1 21 1	- -> 1.44	- -> 14.1	- -> 7.2%	- -> 0.997	- -> 0.11	- -> 0.279	- -> 0.286	- -> 0.17	- -> 1.00	-	-	-	-	-	-	- -> 76	only in B
2wnq	open	- -> fail	- -> C 2 2 21	- -> 1.65	- -> 10.3	- -> 10.8%	- -> 0.997	- -> 68.55	- -> 0.536	- -> 0.545	- -> 0.28	- -> 0.02	-	-	-	-	-	-	- -> 63	only in B
2wnz	open	- -> pass	- -> P 1 21 1	- -> 1.85	- -> 14.8	- -> 12.2%	- -> 0.996	- -> 0.13	- -> 0.207	- -> 0.232	- -> 0.22	- -> 0.94	-	-	-	-	-	-	- -> 61	only in B
2xfw	open	- -> pass	- -> P 1 21 1	- -> 1.55	- -> 14.1	- -> 14.8%	- -> 0.996	- -> 0.11	- -> 0.200	- -> 0.220	- -> 0.16	- -> 1.11	-	-	-	-	-	-	- -> 93	only in B
3mc4	open	- -> pass	- -> R 3:H	- -> 1.79	- -> 12.5	- -> 10.0%	- -> 0.994	- -> 0.06	- -> 0.252	- -> 0.256	- -> 0.06	- -> 1.40	-	-	-	-	-	-	- -> 10	only in B
3meb	open	- -> pass	- -> P 1 21 1	- -> 1.53	- -> 15.6	- -> 13.9%	- -> 0.989	- -> 0.43	- -> 0.201	- -> 0.203	- -> 1.10	- -> -0.19	-	-	-	-	-	-	- -> 6	only in B
3p85	open	- -> pass	- -> P 63 2 2	- -> 1.62	- -> 8.1	- -> 12.1%	- -> 0.998	- -> 0.50	- -> 0.194	- -> 0.201	- -> 0.12	- -> 7.76	-	-	-	-	-	-	- -> 10	only in B
3r6o	open	- -> fail	- -> I 41 2 2	- -> 1.53	- -> 4.5	- -> 19.1%	- -> 0.985	- -> 0.43	- -> 0.302	- -> 0.307	- -> 0.72	- -> 1.58	-	-	-	-	-	-	- -> 5	only in B
4bwl	open	- -> fail	- -> C 2 2 21	- -> 1.68	- -> 14.3	- -> 14.1%	- -> 0.998	- -> 72.04	- -> 0.520	- -> 0.524	- -> 0.13	- -> 0.30	-	-	-	-	-	-	- -> 59	only in B
5cc8	open	- -> fail	- -> P 21 21 21	- -> 1.53	- -> 11.2	- -> 8.0%	- -> 0.997	- -> 0.06	- -> 0.171	- -> 0.184	- -> 0.17	- -> 4.01	-	-	-	-	-	-	- -> 11	only in B
5jk4	open	- -> pass	- -> P 1 21 1	- -> 1.02	- -> 14.8	- -> 8.9%	- -> 0.998	- -> 0.12	- -> 0.109	- -> 0.123	- -> 0.09	- -> 3.69	-	-	-	-	-	-	- -> 25	only in B
5ojv	open	- -> pass	- -> P 21 21 2	- -> 1.82	- -> 13.2	- -> 14.5%	- -> 0.998	- -> 0.41	- -> 0.173	- -> 0.187	- -> 0.16	- -> 1.99	-	-	-	-	-	-	- -> 237	only in B
5uth	open	- -> pass	- -> P 31 2 1	- -> 1.72	- -> 9.5	- -> 12.4%	- -> 0.997	- -> 0.21	- -> 0.194	- -> 0.217	- -> 0.17	- -> 2.80	-	-	-	-	-	-	- -> 10	only in B
5vml	open	- -> pass	- -> P 42 21 2	- -> 1.92	- -> 10.9	- -> 10.2%	- -> 0.996	- -> 0.02	- -> 0.156	- -> 0.165	- -> 0.05	- -> 3.40	-	-	-	-	-	-	- -> 6	only in B
6cee	open	- -> pass	- -> P 21 21 21	- -> 1.38	- -> 23.9	- -> 5.4%	- -> 0.999	- -> 0.04	- -> 0.166	- -> 0.174	- -> 0.14	- -> 9.05	-	-	-	-	-	-	- -> 7	only in B
6cs9	open	- -> pass	- -> P 1 21 1	- -> 1.72	- -> 13.1	- -> 9.9%	- -> 0.998	- -> 0.06	- -> 0.211	- -> 0.205	- -> 0.14	- -> 0.77	-	-	-	-	-	-	- -> 29	only in B
6gvk	open	- -> pass	- -> C 1 2 1	- -> 1.42	- -> 19.8	- -> 5.2%	- -> 0.999	- -> 0.09	- -> 0.200	- -> 0.215	- -> 0.18	- -> 1.88	-	-	-	-	-	-	- -> 94	only in B
6oww	open	- -> fail	- -> P 41 21 2	- -> 2.72	- -> 11.8	- -> 203.3%	- -> 0.994	- -> 0.19	- -> 0.363	- -> 0.376	- -> 0.08	- -> 2.03	-	-	-	-	-	-	- -> 222	only in B
6p8j	open	- -> fail	- -> P 21 21 2	- -> 1.28	- -> 5.3	- -> 23.7%	- -> 0.990	- -> 0.33	- -> 0.241	- -> 0.251	- -> 0.10	- -> 1.18	-	-	-	-	-	-	- -> 143	only in B
6rym	open	- -> pass	- -> P 41	- -> 1.45	- -> 22.9	- -> 4.2%	- -> 0.998	- -> 0.06	- -> 0.170	- -> 0.190	- -> 0.25	- -> 14.40	-	-	-	-	-	-	- -> 16	only in B
6v2r	open	- -> pass	- -> P 41 21 2	- -> 1.38	- -> 24.4	- -> 5.2%	- -> 1.000	- -> 0.02	- -> 0.205	- -> 0.209	- -> 0.21	- -> 12.96	-	-	-	-	-	-	- -> 8	only in B
7bgu	open	- -> pass	- -> P 1	- -> 2.30	- -> 10.0	- -> 12.4%	- -> 0.937	- -> 0.17	- -> 0.286	- -> 0.304	- -> 0.11	- -> 0.26	-	-	-	-	-	-	- -> 41	only in B
7q6j	open	- -> pass	- -> P 21 21 21	- -> 1.98	- -> 11.0	- -> 14.6%	- -> 0.996	- -> 0.25	- -> 0.224	- -> 0.236	- -> 0.14	- -> 1.62	-	-	-	-	-	-	- -> 126	only in B
8c3e	open	- -> fail	- -> P 6 2 2	- -> 1.79	- -> 5.8	- -> 29.4%	- -> 0.980	- -> 0.24	- -> 0.359	- -> 0.400	- -> 0.29	- -> 0.96	-	-	-	-	-	-	- -> 5	only in B
8v2t	open	- -> pass	- -> P 42 21 2	- -> 1.17	- -> 11.9	- -> 8.8%	- -> 0.999	- -> 0.24	- -> 0.166	- -> 0.181	- -> 0.21	- -> 10.86	-	-	-	-	-	-	- -> 31	only in B
8v4j	open	- -> pass	- -> P 42 21 2	- -> 1.10	- -> 22.1	- -> 5.4%	- -> 1.000	- -> 0.04	- -> 0.170	- -> 0.177	- -> 0.11	- -> 12.35	-	-	-	-	-	-	- -> 110	only in B
9jq9	open	- -> pass	- -> P 21 21 21	- -> 1.65	- -> 19.5	- -> 6.9%	- -> 0.999	- -> 0.12	- -> 0.212	- -> 0.242	- -> 0.15	- -> 4.82	-	-	-	-	-	-	- -> 6	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	-	-	-	-	-	-	- -> 60	only in B
9qvv	open	- -> pass	- -> I 2 2 2	- -> 2.49	- -> 37.3	- -> 11.2%	- -> 1.000	- -> 0.42	- -> 0.235	- -> 0.239	- -> 0.20	- -> 1.64	-	-	-	-	-	-	- -> 110	only in B
9qw2	open	- -> pass	- -> P 1 21 1	- -> 1.76	- -> 7.8	- -> 18.5%	- -> 0.958	- -> 0.77	- -> 0.240	- -> 0.245	- -> 0.04	- -> 0.54	-	-	-	-	-	-	- -> 98	only in B
9s02	open	- -> pass	- -> P 21 21 2	- -> 1.42	- -> 26.0	- -> 10.2%	- -> 0.999	- -> 0.06	- -> 0.180	- -> 0.189	- -> 0.11	- -> 2.25	-	-	-	-	-	-	- -> 127	only in B