leonarski_fandClaude Opus 4.8
465cf1aa5e
A reference MTZ is now allowed for rotation data: it fixes the space group and cell (on the CLI) and resolves the indexing (merohedral) ambiguity, but is NOT used to scale - the rotation merge stays self-consistent. Previously rotation + reference was a hard error. After the space group is determined, ChooseReindex/ReferenceIntensityCC pick the reindexing whose merged intensities best correlate with the reference and, if it is not the identity, the twin-law reindex is baked into the integration outcome (hkl labels only; the cell is unchanged, the reindex is metric- preserving), the rotation scale-merge is re-ingested and the data re-merged in that indexing. No-op for a holohedral crystal (no twin laws), e.g. lysozyme. Stills resolve the per-image ambiguity in ScaleOnTheFly, not here. 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.