RESULT-CHANGING. 3r6o I4122 -> I41 (fail -> pass; ISa 4.15 -> 7.77, R-free 0.303 -> 0.270);
8c3e P622 -> P321 (fail -> unscored: the c screw is undeterminable from its sweep, the point group
is right). Unchanged on the other 18 sets of a GPU battery (run 20261017-1241_520254_twin-isa-t2b
vs 20261016-0057) and on a CPU screen of 53 controls. The reference_mismatch key on 3mc4 and 3r6o
is a note in the report only: nothing is skipped or re-scored. The report.py conflict was the note
column, which now carries both the SHELXL R_free note and the reference note.
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01PXc1zD1yxHqaR1DGdCTHL4
leonarski_fandClaude Opus 5.5
c8c33b79e0