leonarski_fandClaude Opus 5.5
8f05793b67
Whether a twin law can exist was read off a hard-coded list of Laue classes (4/mmm, 6/mmm, m-3m and rhombohedral -3m "holohedral", everything else eligible). That is a property of the lattice, not of the class: a C-centred orthorhombic or a monoclinic lattice with no special metric admits no twin law for mmm or 2/m either, and a pseudo-merohedral one admits a law the class says nothing about. On five pseudo-merohedral sets the report said "Twinning INDICATED - refinement needs a twin law" where the lattice admits none. TwinLawPossible asks gemmi's find_twin_laws (Le Page two-folds within 3 deg, as RfreeFlags and ReindexAmbiguity already do), and AnalyzeTwinning takes the cell to decide it; in P1 or without a cell a law stays possible, so the pre-promotion analysis and the space-group search are unchanged. Twin-like statistics (<|L|> below 0.44) above the false-operator bar where no law is possible are now reported as NO_TWIN_LAW: not a twin in this group, so the symmetry may be too high or something else narrowed the distribution. Report-only: no reflection file changes. Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01SVmAWnzCmRKAXVUCdc4iNi
Jungfraujoch
Application to receive and analyse data from the PSI JUNGFRAU and EIGER detectors, together with
rugnux, its program for processing stored diffraction data - rotation and serial, macromolecular
and small-molecule - from images to merged reflections.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.