Filip LeonarskiandClaude Opus 5.5
bd27d802b7
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The fulls' scaling loop now works as the partials' loop does since 4e177bdb2: a compact copy of the
fulls in the group CSR's order (ScalingRef, corr beside it), so the group means read sequentially
instead of gathering eighty-byte Obs through fulls_group_perm, and the per-frame fit over a
ScalingFit list built once with the Unity model's filters (FitScalingFrames, which takes the minimum
count as a parameter). FitPerFrameG, SolveScale and ReduceFullGroupMeans had no callers left and are
gone; their rationale comments moved to where the filters and the fit now are.
Combine prefetches the partials of the raw hkl 8 runs ahead: a run's partials lie a frame apart in
memory and the work per rocking event kept the CPU from reaching the next runs' loads, so it waited
on a cache miss for nearly every partial.
Same values, same operations in the same order: p.hkl and the merged MTZ data are byte-identical on
lysozyme, cytochrome C, myoglobin, a small-molecule set and 4nwv. Measured on 4nwv (Apple M6, two
interleaved runs each): the combine-and-scale-fulls stages 12.6 / 12.7 s -> 5.6 / 8.9 s; the scaling
steps (5 + 9) 54.6 / 53.0 s -> 52.0 / 51.0 s; total wall time is within run-to-run noise (127-131 s).
Cytochrome C scaling and merging 3.35 / 3.43 s -> 3.19 / 3.19 s.
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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.