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Author SHA1 Message Date
leonarski_fandClaude Opus 5.5 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
2026-10-07 06:30:20 +02:00
leonarski_f 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>
2026-09-29 15:57:32 +02:00