leonarski_fandClaude Opus 4.8
386f345758
ModelValidation now fits the scaled model to each reindexing of the observed reflections (identity plus the twin laws from ReindexAmbiguityOperators) and keeps the one with the lowest R-free. The scale + per-shell + R computation is factored into a per-candidate lambda so every candidate is scored identically. No-op for a holohedral crystal (no twin laws), e.g. lysozyme, where the only candidate is the identity. The enantiomorph/screw ambiguity is still resolved from the model hand, not probed - |Fcalc| is the same for both hands so R-free cannot distinguish them. 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.