3 Commits

Include renames

Author	SHA1	Message	Date
leonarski_fandClaude Opus 5.5	bcb059591b	rugnux hypothesis arms read their residual on the pre-pass frames ... The demoted arm of the metric-symmetry check and the rotation-scale walk's refits integrated and post-refined every frame of the sweep, only to read a held-out residual or a scale fitted on top. They now integrate only the frames the geometry pre-pass read (prepass_frames_only_, PrepassEnd), as the pre-pass asked its own fit: the run decides early on the evidence it has. Metric-symmetry check: the canonical pass, the promoted arm, fits its comparison post-refinement on the same frames (GatherPostRefineObservations takes a frame limit). That fit only measures and leaves nothing on the run; the canonical pass then measures its own fit over every frame where it measures one anyway, as any canonical pass does. A decision whose margin from the HeldOutResidualFell line lies within NEAR_TIE_SIGMA of its noise is a near tie in the part-B sense: the canonical pass also fits over every frame while its reflections are in hand, and after the run the demoted arm runs again on every frame (deciding late) and is judged against that fit. Where the check ends elsewhere the run is made again deciding late, which asks both arms on all the frames as before. No new threshold. Rotation-scale walk: a refit proposes the next scale; the validation frames of the whole sweep still decide whether it is taken, so it needs no re-check. Battery, 31 open/in-house metric-check and scale-walk sets + 3 private, against 56bad5fdb: - p.hkl and MTZ arrays identical on 32 of 34. Every metric-symmetry decision ends as before. 6yqf decided a near tie the other way on 1200 of 2000 frames, the re-check on all frames overturned it and the run made again gives base's output (24 -> 55 s). 6cdl and 9vyb were near ties the re-check confirmed. - 9gdj: the scale walk takes one more refit and adopts 0.97020 instead of 0.97045; R_meas 11.41 -> 11.36 %, R_free 0.1709 -> 0.1708, d_min, SG same. - One private scale-walk set: the pre-pass refit pointed up where the all-frame one pointed down; the whole-sweep validation frames prefer the higher scale, and the merge improves on every statistic. - ci tier: 0 sets changed beyond noise (only 9gdj's data differ). - rugnux wall over the 31 sets 1059 -> 993 s (with 6yqf's re-run), metric check step 129 -> 85 s; ci tier 640 -> 626 s. Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EizBKhTqrAYago9KJG3dA3	2026-10-11 07:12:05 +02:00
leonarski_f	84228bf8be	v1.0.0-rc.173 (#83) ... * jfjoch_broker: Optional per-dataset authentication - statistics, images and plots can require a bearer token, which jfjoch_viewer supports. * jfjoch_viewer: Dark mode and a theme-matched colour scheme, a magnifier panel, and simpler contrast and background controls. * Rugnux: Multiple performance improvements on GPU and CPU (CPU-only processing up to 40% faster, faster image decoding on ARM), with unchanged results. * Rugnux: `--model` rigid-body refinement runs on the GPU, and the model-validation check is faster and more reliable. * Rugnux: Improved scaling and merging - error model, outlier rejection, absorption correction and French-Wilson amplitudes now agree more closely with XDS and ctruncate. * Rugnux: Improved integration - radial background on powder and ice rings, crowded rotation data keep their reflections, and CPU-only builds integrate large unit cells as GPU builds do. * Rugnux: More robust detector geometry - measured beam centre, X-ray bandwidth and goniometer rate, and geometry refinement accepted only on significant evidence. * Rugnux: Merged files are written in the standard setting, or in the setting of a reference MTZ, structure-factor mmCIF or model, with its free-R flags. * Rugnux: Richer report - ice and powder rings, further lattices, superstructure candidates and mosaicity, with warnings worded as prompts to check. * Rugnux: Clear error messages when a data set needs more GPU or host memory than is available. Reviewed-on: #83 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>	2026-09-29 15:57:32 +02:00
leonarski_f	6dfe065365	v1.0.0-rc.172 (#82) ... * Fixed `jfjoch_broker` cancelling every data collection with a CUDA "out of memory" error after long operation: GPU memory no longer leaks with each collection. * Rugnux scales a rotation sweep until the per-frame scales settle instead of for a fixed three rounds, and says so when they did not - merged intensities, and the space group, resolution cut and frame rejection read off them, change accordingly; `--scaling-iterations` is now the cap on that loop (default 100). * Rugnux places every frame of a marCCD, SMV or miniCBF series at the spindle angle its own header states, so a series with missing frames, or with angles written modulo 360, is no longer read at the wrong geometry or refused. * Every rotation run writes two diagnostic files beside its reflections: `<prefix>_detector.jpg`, the detector projection with the pixel mask and the detected beam-stop shadow drawn on it, and `<prefix>_plot.txt`, one row per image. Reviewed-on: #82 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>	2026-09-22 06:48:37 +02:00