leonarski_fandClaude Opus 5
47ec939c39
The column was written with 1 for the test set and 0 for the working set - the phenix/CNS numbering - under FreeR_flag, which is CCP4's column name. CCP4's own freerflag writes 0..19 with 0 as the test bin, and REFMAC5's default FREE 0 reads it that way, so REFMAC5 stopped on every file we wrote: "more than half of reflections are in free R set", then "Cannot switch free R flag", exit 1. phenix auto-detects either numbering with equal confidence (measured on both, score 3 each), and rugnux's own reference-MTZ reader already takes flag 0 as the test set, so 0 = test is the numbering that works everywhere and the one the rest of the code assumes. This changes every merged .mtz we write: a script that reads FreeR_flag == 1 as the test set has to be inverted. The mmCIF's _refln.status_free is a separate item with its own convention and is unchanged. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N
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.