leonarski_fandClaude Opus 5.5
5584460de0
The merged .mtz and the unmerged .mtz carry, after the existing "From Rugnux <version>" record, HISTORY records with the git commit and date, the command line, the input file (absolute path) and a cheap identity of it - size and modification time, the master file's for HDF5, nothing hashed - and the collection date. MTZ allows 30 records of 80 characters; a longer value runs on over records starting with '+', cut so that no record ends in a blank a reader would strip. The mmCIF names the commit in _software.description and the command line, input file and identity under _jfjoch_provenance (the local prefix the other private items use; no PDBx item holds them), the first two as text fields so any character survives. OutputProvenance is filled once in the CLI and travels in ProcessConfig to every writer of a reflection file. Reflection data are unchanged. 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.