The two-arm search is meant to use the Lorentz-filtered merge for the point
group only - systematic absences live in the weak reflections a |zeta| cut
removes, and reading them off the filtered arm is what cost four crystals their
screw axes. That is what the code comment and CPU_DATA_ANALYSIS both say, but
the filtered-arm-wins branch kept its whole result, screws and centering
included.
Let a search be pinned to a point group decided elsewhere (fixed_point_group)
and re-run Stage B on the all-observation merge when the filtered arm rescues
the point group. The point group is passed as its symmorphic representative, not
by name: gemmi calls both P321 and P312 "32". Reporting that representative also
lets the ambiguity check see two arms that disagree about which 2-folds are real
- by name they looked identical - and the advice it prints now names a space
group -S can actually be given.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
leonarski_fandClaude Opus 5
64c8117a96