leonarski_fandClaude Opus 4.8
0ebf90a1ad
The two-pass second pass reused pass-1's space group for both the indexer and the merge. Reusing it in the INDEXER disables the de-novo pseudo-symmetry safeguards, so build_sr adopts a wrong cell: a metrically pseudo-centred crystal doubles into a super-cell (every real reflection plus phantom half-integer ones - so the merge keeps CC1/2 but halves <I/sigma>), and a huge oblique cell's constrained monoclinic refine is ill-posed, diverges, and the re-indexing collapses. Decouple the two: the second pass now indexes DE NOVO (the group is cleared before it, safeguards on) so it recovers the true cell, and pass-1's group is reinstated for the MERGE ONLY, just before RotationScaleMerge, so the symmetry stays fixed exactly as a user-fixed group would - no re-search, no flip. A reindex-derived group is still left to re-search. Neutral for genuine-symmetry data (its de-novo cell already matches the group); it recovers the pseudo-symmetric cases that previously collapsed. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
Jungfraujoch
Application to receive data from the PSI JUNGFRAU and EIGER detectors.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.