leonarski_fandClaude Opus 4.8
c140b3567d
Single-axis rotation has a gauge degeneracy: rotating the whole experiment about the spindle leaves every spot position unchanged, so the beam-centre component parallel to the spindle is a null / under-determined direction. Refining it freely lets it wander a few pixels and absorb centroid systematics into a wrong beam that the co-refined orientation keeps position-consistent. Add a soft header prior on that one component in the shared XtalOptimizer: residual = w*(beam[parallel] - header), with w set so the restraint behaves like a sigma_px-pixel prior competing with the positional residuals. The gauge direction has ~zero data sensitivity, so the prior pins it near the LaB6-monitored header, while a real, well-supported drift can still overcome it (the beam does drift). One restraint covers all three refinement sites at once: the noisy accumulated-spot primary, the per-frame filter, and post-refine. Validated against independent XDS processing: neutral on well-determined data (the gauge direction has no effect there), and a real low-resolution accuracy gain where the free refinement had otherwise wandered off the header - the merged intensities move back into agreement with XDS while the internal CC1/2, which is blind to this, barely changes. No space-group determinations change. 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.