leonarski_fandClaude Opus 5.5
4620130f71
The per-frame scaling tolerance goes from 1e-3 to 1e-5, and the Anderson onset (also the round the fulls loop keeps its cross-validated lambda) becomes an absolute 1e-2 instead of 10x the tolerance. Evaluated on 35 merged sets (ci tier + scaling-audit sets), on top of the loop fixes: - plain 1e-3: 8913 iterations, 38 s of loop time on GPU, 7 loops at the 100-round cap; - plain 1e-5: 35212 iterations, 120 s, 17 loops at the cap; - Anderson 1e-3 (previous default): 3715 iterations, 16 s, merged intensities as far from the converged ones as plain 1e-3 (median 0.13%, max 4.3%); - Anderson 1e-5 (this commit): 6507 iterations, 27 s, longest loop 89 rounds, merged intensities within 0.2% of plain 1e-5 and identical SG, d_min, CC1/2, ISa, R_meas, R_free. No space group or verdict changes in any mode. The converged merge is not measurably better against the references, but it no longer depends on where a loop happened to stop. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01PXc1zD1yxHqaR1DGdCTHL4
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.