leonarski_f
d5818713cb
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A rotation run that determines its own space group now also writes <prefix>_P1.mtz: the same observations, the same scaling, merged in P1. If the group was wrong there is no route back today except processing the images again, and the P1 data settle it - re-merge, re-solve or re-refine in any subgroup. Written whether or not the search adopted P1, because a file whose presence depends on what the pipeline decided cannot be harvested by a script. A run given -S writes nothing: its group's centring absences were never integrated, so the P1 merge would be missing whole classes. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01T3yNBXk4wKdMZy1ak2NY7f # Conflicts: # docs/CHANGELOG.md # rugnux/rugnux_cli.cpp
