leonarski_fandClaude Opus 5
f25fea7024
Offline reprocessing is not bound by the online spot budget, and the cap is applied at the end of SpotAnalyze, so it is exactly the spot list the indexer and the per-image refinement see. jfjoch_viewer already sends 1000, so the two front ends now agree on the same file. Measured as a paired A/B over the 37-crystal rotation battery, de novo, with the resolution and Friedel setting matched to the XDS reference, both arms from the same binary bar this constant: R_meas low shell 16 better 0 worse 19 unchanged R_meas 14 better 4 worse 17 unchanged ISa 14 better 6 worse 15 unchanged CC1/2 6 better 3 worse 26 unchanged Low-resolution R_meas is a clean sweep. Around half the battery is bit-identical: those frames never reach 250 spots, so the cap never bound. Wall clock is unchanged (10m00s vs 10m44s, uncontrolled for page cache). Known cost, and the reason this is its own commit: one crystal in the battery reproducibly loses symmetry, tetragonal 422 -> orthorhombic 222, doubling its asymmetric unit. Its R_meas and ISa "improve" there, but that is what merging in too low a symmetry always does, and the lower symmetry then admits a merohedral indexing ambiguity. An intermediate cap of 500 demotes it too, so it buys none of the safety. This is the known point-group-decision-moves-with-data-amount fragility of the space-group search rather than an argument for starving the indexer of spots - the search is the thing to fix. Co-Authored-By: Claude Opus 5 (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.