leonarski_fandClaude Opus 5.5
a574e97b10
The unmerged MTZ took every integrated still. A still whose cell is not close to the run's - the same test, with the same tolerances, the merge applies - was indexed in another lattice (on few spots, typically an axis multiple), so its H K L do not name the reflections a reading program takes them for: aimless or careless would scale them in as wrong reflections. On two 25k-frame XFEL runs such frames carried 60% of the integrated reflections, and the 824 MB file was the largest single cost after the merge (about 7 s in --mode scale). Rotation runs are unchanged (one lattice). The orientation matrix in the batch headers is likewise taken from the first crystal on the run's cell. Test: Unmerged MTZ: on stills, only the crystals on the run's cell. 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.