leonarski_fandClaude Opus 4.8
7b8e08cd96
Two F432 crystals (a~70.2 A) that diffract only to ~4-4.5 A on a detector reaching ~1.5 A failed to process de-novo. Three independent, physically motivated fixes, validated on the 24-crystal rotation_test battery with zero regressions (every other crystal keeps its cell, indexing rate and space group): 1. Per-frame indexing gate (AnalyzeIndexing): the indexed-fraction denominator counted every found spot, but for these crystals ~85% of spots are unindexable sub-diffraction ice/noise, making the 20% floor unreachable so every frame was rejected (0% indexed). Count only spots within the resolution range the lattice actually diffracts to (out to the highest-resolution indexed spot). This can only shrink the denominator, so it never rejects a frame that passes today. Fixes Benas_3 (0 -> 40%, correct F-cubic -> H32). 2. First-pass rotation indexing now runs multiple sampling schemes and selects the one that indexes the most frames on the real per-image path (spread over the whole rotation vs a consecutive wedge from the clean start). The long-standing spread scheme wins for typical crystals (unchanged), while the consecutive wedge keeps a reflection's rocking curve continuous across frames so the FFT can trace a long axis whose fine reciprocal spacing the coarse spread cannot resolve. Fixes Benas_7 (garbage cell 0.06% -> correct hex 69%). Scheme selection reuses ProcessImage's indexing path (extracted as DetermineRefineAnalyze / IndexFrameOnly) so validation cannot diverge from production. 3. Space-group-search resolution gate (Rugnux): the <I/sigma> >= 1 cut collapsed to ~the cell dimension when every shell is below the threshold (I/sigma floored by the error model though CC1/2 is high), leaving the re-merge with no reflections -> "resolution calculation failed" crash. Only cut when a good low-res region exists above the cutoff. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
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.