leonarski_fandClaude Opus 5.5
da5ef0c503
The non-reference settings of the adopted point group were offered only when the cell hosted their rotations to within ~0.1 deg, while the reference settings - which hold the very same rotations - were offered without asking. A cell refined free after integration a few tenths of a degree off 90 therefore lost every setting but the reference one. On an orthorhombic set whose measured screws lie on a and c and whose b row was never recorded, that left P2(1)2(1)2(1) as the only candidate covering both screws, and it was reported as determined. With P 21 2 21 offered, the two tie, the b-axis screw is reported as undetermined, and the model check uses the setting the data describe. The point-group stage still asks the cell whether a rotation set it adds is hosted; only the setting enumeration within an already chosen set stops asking. Validation: myob/cytc/thau x10sa p.mtz byte-identical (GPU); 7mzt fail -> unscored (b screw undetermined, P 21 21 21 or P 21 2 21); 5cc8 unchanged; [SearchSpaceGroup] 23 cases pass incl. a new section with a cell 0.2-0.3 deg off 90. Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01K5K8jvPPbmCrbqnWkddTuB
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.