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70859bcb60 |
WilsonOutliers: judged list, per-reflection verdicts and both sorts on all threads
Exact (tier E): the same observations in the same order, the same verdicts. - The judged observations are compacted in fixed blocks (count, prefix, fill) instead of a serial push_back. - Both sorts (by d, by reflection) sort (key, index) records, so a comparison reads the two elements it compares instead of two observations elsewhere in memory; same total order. - Each reflection is decided on its own observations, so the reflections go side by side in claimed blocks; the rejection count is an integer sum. Measured (prototype, GPU): Wilson test 8tyy 3.4 -> 3.0 s, 8a1a 2.8 -> 2.6 s per run (the sort-on-records part is not in the measured binary yet); md5 identical. Clean branch rebuilt from scratch (GPU and CPU) and re-verified: p.mtz md5 identical to production on myob/cytc/thau/8a1a/8tyy/8qaw/9gdj (GPU), cytc -N 4, myob/cytc and myob -N 4 (CPU). Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01SVmAWnzCmRKAXVUCdc4iNi |
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84228bf8be |
v1.0.0-rc.173 (#83)
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* 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> |