leonarski_fandClaude Opus 5.5
7e5e4c54e4
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Validation reads of the final merge only its French-Wilson amplitudes, which the analyses made last, from the anisotropy tensor. That tensor is a fit to the merged intensities alone (the unmerged observations only give its error bar), so AnisotropyPriorHKL computes it from the merge without the rest of the analysis, bit for bit what AnisotropyTensorHKL of the full analysis gives (test). The first ValidateAgainstModel now runs from the start of the analyses on a copy of the merge given those same amplitudes, on the caller's card (get_gpu), with its log held and replayed where it was printed before; nothing it decides is acted on earlier. The model's preparation (census wait, indexer pool, GPU hold, merge engine release) moves with it. Measured, --simulate-live 10 --fast-live, 4axt model, RTX 5080, analyses + validation steps: strong lysozyme 0.91 -> 0.63 s, reference lysozyme 1.02 -> 0.66 s (validation beside the analyses 0.60-0.62 s vs 0.39-0.45 s alone, CPU shared; analyses 0.53 -> 0.62 s). The analyses were 80% waiting for the anisotropy (0.43 of 0.53 s), so starting on the full analysis' tensor would have gained ~0.1 s. p.hkl, p_maps.mtz identical, p.mtz data identical, all validation numbers identical. 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.