leonarski_fandClaude Opus 5.5
34d5bb5631
The stills scale/merge after the image loop was almost entirely serial: - every scaling-reference merge (MergeAll: the per-image scaling reference and the two partiality post-refinement references) ran French-Wilson single-threaded on its export, about 3 s each, and assigned free-R flags - neither is read by a reference, which uses I only. MergeAll now exports intensities alone (MergeOnTheFly::ExportIntensities). - the merge accumulated into a std::map; it is now an unordered_map exported in key order, which is the std::map order. - AddImage, the error-model collection and the R_meas pass of MergeStats did the per-observation work (systematic-absence test, ASU key, filters, error-model sigma, outlier test, merged-I lookup) in one serial loop. They now reduce a block of images in parallel and consume it in image order (ReduceImagesInOrder), so every floating-point sum, half-set choice and hash-map insertion is made in the serial order. Measured on a 25k-frame XFEL stills run (box loaded, load 9-14): merge P1 19.0 -> 7.1 s, final-group merge 27.7 -> 13.2 s; on a second run 23.4 -> 7.7 s and 29.7 -> 13.6 s. mtz/unmerged mtz data, hkl, cif and report identical on both runs, mx and --mode scale. New test MergeOnTheFly_AddImagesIsTheSerialMerge checks the parallel merge against the serial loop across a block boundary. Co-Authored-By: Claude Opus 5.5 (1M context) <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.