leonarski_fandClaude Opus 5.5
c346597a48
Owner decision: an outlier that has an explanation stays in the battery, because it tells
something; removing it makes the results opaque. So 3mc4 and 3r6o run the REFMAC and
depositor-data checks like every other set again, and their numbers count in the plots and
statistics. The manifest's reference_mismatch note (the frames are a ~30% twinned crystal,
the deposition another, untwinned one) is printed in the per-set table's note column and
under the REFMAC R_free ratio plot. battery.py is back to its state before 52025483d.
Checked: battery recheck of 20261017-1139_e25876_twin-isa-mismatch - REFMAC ran on both
(R_free ratio 1.362 / 1.363, dep_cc_delta_all -0.163 / -0.319) and the report shows the note
beside both rows; test_score.py OK.
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01PXc1zD1yxHqaR1DGdCTHL4
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.