Twelve open-arm sets were missing from the page: 2WNN, 2WNQ, 2WNZ, 2XFW, 4BWL (the Zenodo
pathological-data series, 10.5281/zenodo.54568, with its Sci. Rep. 2018 paper), 5OJV, 6P8J
(SBGrid), 6OWW, 7Q6J, 8C3E, 9QVV (Zenodo) and 9QW2 (Keele). Their rows carry the RCSB
deposited values, the detector read from the files and a DOI verified against DataCite.
A new section describes the twinned and pseudo-symmetric rows (the C 2 2 21 vs P 21 question
of the series, 8C3E's merohedral twin and open screw, the 3MC4/3R6O reference_mismatch notes),
and 6OWW's accepted alternative joins the section on rows where reduction and deposition disagree.
Corrections to what was already there:
- d_min of 6JGJ (0.78), 7L84 (1.70) and 9YZK (5.10) are now the entries' refinement resolution
like every other row; open.json's 6jgj dmin follows (report-only on the open arm).
- nine titles that had been shortened or paraphrased are now the RCSB titles verbatim.
- 9VX7 was on the page but never in the battery: it is now listed as not in the battery, why.
- the 6r72 battery row runs the low-dose collection, not the helical one; the page said both
were rows and listed the low-dose one as a dataset without a PDB entry.
- 6H2P is two battery rows (6h2p_native, 6h2p_1p89A); the page now says so.
- the five XRDa DOIs are registered with JaLC, not DataCite.
- "five" primitive no-screw negative controls are twelve; 6PXB is an accepted alternative, not
unscored; the stale "seven rows have no PDB code" paragraph is replaced.
- the collection counts (repository, facility, crystal system, structure factors) are recomputed;
several were already wrong before this change (Diamond 20 for 14, CLSI 4 for 3, ...).
The stills page notes that pal90's beamline is CXIDB's (NCI) while 6IRK records CSI.
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
leonarski_fandClaude Opus 5.5
cf7d35d554
