leonarski_fandClaude Opus 5.5
a7dc45b7ea
When neither the file's nor the background-measured beam centre indexes a majority of the validation frames, the first pass chose between them on the pooled spots each centre's lattice puts on itself over chance, and only then asked the long-axis rescue - at the chosen centre alone. The lattices compared there are, by construction, not the crystal's, and the comparison is close to a coin toss. With the decisions before pass 2 taken from the first part of the sweep (part B,5b9144410), 8v4o (P6122, c = 545 A) tipped from the file's centre to the measured one, 3.6 px out across the spindle, on 16.7% against 15.5%; the rescue there could not see the 545 A axis, and the run shipped a P1 sub-cell (primitive volume 0.35x). At the file's centre the same rescue on the same early frames indexes 60/60 (checked with --beam-center-check=off on the rc175 binary). The rescue is now a lambda, asked at both centres in that branch so each centre is judged on the best lattice it gives, and asked as before after the beam-centre check where that branch did not already ask it. The early-frame principle of part B is unchanged. 8v4o: P1 2.62 A, CC1/2 0.920, R_model 0.553 -> P6122 2.12 A (pass), the file's centre kept. p.mtz md5-identical to rc1757c9a6c7d1(GPU) on 5nw5, 5ky6, 5reo, 7atg, 9qw8, 9rci, cuhf2, cytidine, insu_I_x06da_low_isa, kdp_x10sa_20keV, lcystine_x10sa_20keV/25keV, lyso_x06da_half_image, myob_x06da_powder_2, myob_x06da_sparse, nothing_1, nothing_2 and the two private sets that reach the same branch. 9rci (doubled-c alternative under tNCS) is a different mechanism: rc175 with --prepass-fraction 1 also returns the doubled cell. 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.