leonarski_fandClaude Opus 5.5
f462047038
The pre-scan's beam-centre check and the post-refinement both measure where the direct beam lands, but the report only carried the centre the run used. Section 1 now sets the file's direct beam (FILE_DIRECT_BEAM) beside the background's (BACKGROUND_DIRECT_BEAM, with its sigma), the shift of the refined centre from the file's (BEAM_CENTRE_SHIFT) and the tolerance the geometry asks for (BEAM_CENTRE_TOLERANCE: BeamCenterNeed_pxl, the number the log's check prints, here on the run's own cell). A shift above the tolerance is a BEAM_CENTRE_OFF warning naming the file's, refined and background centres, the difference in px and mm and the value to correct the beamline to; a run that refined no centre is warned on the background alone where its fit resolves the difference (3 sigma). The summary gains a Beam centre line. The refined centre, not the background, is the trigger wherever one exists: on a battery set where XDS's refined direct beam and rugnux's agree to 1 px, the background fit is 12 px away from both. Report-only; no result changes. Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01SVmAWnzCmRKAXVUCdc4iNi
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.