leonarski_fandClaude Opus 5.5
6a1d859d49
Serial crystallography quotes R_split and a CC1/2 whose half-sets keep each crystal whole (CrystFEL's partialator), and rugnux's stills report had neither, so its numbers could not be set beside CrystFEL's. MergeOnTheFly now also sums every frame's observations into the frame's own half (the existing per-image hash preference), and MergeStats reports from those two means R_split = (1/sqrt 2) sum|I1-I2| / (1/2 sum(I1+I2)) and their CC1/2. They are printed as a "Serial statistics" table under the shell table (also in the --report-resolution table) and as R_SPLIT / CC_HALF_SPLIT and their REFRES_ keys. The balanced per-reflection split behind CC_HALF is unchanged, and so is everything decided on it (resolution cut, space-group search, pass gates). Rotation output is unchanged: RotationScaleMerge does not fill the new fields and the table is not printed. On a 4000-frame jet subset over 30-1.5 A: CC1/2 0.830, R_split 31.8%, against 0.834 / 31.3% computed by hand from two separate even/odd runs and 0.842 / 30.5% from CrystFEL on the same frames. 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.