leonarski_fandClaude Opus 5.5
801faa797c
The two-pass rotation pipeline's first image loop (the geometry pre-pass whose reflections feed post-refinement) stops after the given fraction of the sweep; pass 2 still integrates every frame and is the only one written. Default 1 (unchanged). On the 25 sets ranked by the post-refinement held-out gain, --prepass-fraction 0.5 vs rc174 (REFMAC check): 0 verdict changes, d_min change median 0.000, R-free worse by >0.005 on 1/17; image-loop seconds -17%, myob wall 11.9 -> 10.5 s. Without post-refinement at all (--rotation-no-postrefine) the same sets had 5 verdict changes and 11/17 R-free worse. 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.