leonarski_f
0a349026bb
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A rotation run can integrate more than twice: a pass whose post-refined geometry loses the quality comparison, or whose integration radius has to be refixed, is followed by another that overwrites it. The superseded pass nonetheless computed a Wilson B, an anisotropy and twinning verdict, a radiation-damage and sweep-quality report, ran model validation and wrote the P1 cross-check file - all of it replaced minutes later. On a 100-dataset corpus that is 19 superseded passes over 18 datasets and about 100 s. A pass cannot know it is the last one, but it can know it is not: every trigger that forces another pass is settled before the report is built - background starvation at integration, a lattice that conflicts with a fixed space group at indexing, and the quality comparison at the pass's own first merge. The one exception compares cells rather than the pass's own numbers, so it is left out; it fires on none of the corpus. The quality comparison is hoisted into one function with two callers rather than being written twice. The measurement the error model and the correction surfaces are fitted on is not skipped: full_stats also gates the surface refinement, so declining it would change the merged intensities rather than only the report. Verified on nine datasets spanning seven space groups, two of them with a superseded pass and two with none: the merged and unmerged files, the P1 cross-check and the image statistics are byte for byte identical, and the report differs only in its date, prefix, command line and wall time.
Jungfraujoch
Application to receive data from the PSI JUNGFRAU and EIGER detectors.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.