leonarski_fandClaude Opus 4.8
e91b520863
Two ways the processing now adopts symmetry from an external reference: - Reference MTZ (-z) fixes the space group and unit cell, unless -S / -C override them (the explicit flag always wins - so -S with the "wrong" enantiomorph is allowed). The cell is a soft reference: indexing may still drift within tolerance, as with -C. - rugnux --model: when the data was merged in the enantiomorph of the model's space group (e.g. data P4(1)2(1)2, model P4(3)2(1)2 - the merged intensities cannot tell them apart), ValidateAgainstModel reindexes the observed reflections into the model's hand (via gemmi change_of_hand_op). This keeps the data setting consistent with the model; it does not change the R-factors, which use |F|. 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.