leonarski_fandClaude Opus 5.5
3b7cc499c2
Where the free refinement splits a promoted equality beyond the integration
disc, RefinedPasses ran two probe passes (promoted, then demoted) and then
integrated the winner a third time as the canonical pass, although the
promoted probe and the canonical pass predict the same reflections. Now the
demoted arm runs first as a probe, and the canonical pass is the promoted arm
itself: it fits its post-refinement before the merge (lattice_arm_check_),
compares the held-out residual there with HeldOutResidualFell as before, and
stops before merging only if it loses, in which case the demoted class runs as
the canonical pass (same number of passes as before). A pass that does not
measure a post-refinement as canonical pass drops the one it fitted, and the
geometry the fits leave behind is the one the two-probe order left, so every
pass downstream starts where it did.
Exactness E: merged data and all output files identical to rc175 e9d4f2221 on
the 8 sets where the check runs (9sl0, 6yqf, 7atg, lysoI_micromax_pink,
myob_x06da_powder_2 promoted kept; 9t6s, 8v2t, lyso_micromax_pink demoted
wins), 2 runs each; the only difference is p_report.txt PASS= n-1 of n-1 where
the promoted class stands (one pass fewer is run). Decisions and residuals
identical.
Wall (time -v, base -> new, rep1 / rep2, shared machine):
9sl0 48.4->40.2 / 48.9->39.6
7atg 49.5->31.2 / 33.2->28.7
6yqf 29.4->25.1 / 30.0->39.6 (noisy)
lysoI_micromax_pink 23.2->13.0 / 14.5->13.2
myob_x06da_powder_2 13.5->12.0 / 12.6->11.5
losers 8v2t, lyso_micromax_pink, 9t6s: within +-2 s
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.