3 Commits

Author	SHA1	Message	Date
leonarski_f	50ebf1694e	Add global (joint) scaling path: jfjoch_process --global-scale ... Refine all per-image scales, per-image mosaicities and the shared per-HKL true intensities (plus the global wedge) together in one Ceres problem (GlobalScale.{h,cpp}, GlobalScaleCeres), as an alternative to the existing alternating merge-then-scale-each-image loop. The result feeds back into each reflection's image_scale_corr exactly as ScaleOnTheFly does, so the rot3d combine and MergeOnTheFly run unchanged and every metric stays comparable. On HEWL crystal 2 the joint fit converges to the same place as the alternating loop (anomalous S-peak vs XDS 0.53x -> 0.54x, ISa 9.4 both), confirming the alternating path already reaches the joint optimum. Kept as a validated alternative and the home for future global corrections. A shared quadratic absorption surface in detector position was prototyped here and dropped: it fit large non-physical coefficients (radially degenerate with the per-HKL resolution structure), lowered the scaling-fit residual but raised the error-model b (ISa 9.4 -> 7.3) and did not improve anomalous accuracy. Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>	2026-06-25 20:43:04 +02:00
leonarski_f	e4b3064254	Scaling: reference dataset, 3D combine (-P rot3d), R-meas, profile-fit integrator ... Reference dataset (a): LoadReferenceMtz adds column selection + cell/SG/resolution + a data-vs-reference consistency check; jfjoch_process/jfjoch_scale gain --reference-column; the viewer gets a Reference section in the MX settings dock (worker-owned, independent of the loaded dataset) that flows into reprocessing jobs. 3D combine (-P rot3d): Combine3D weight-sums a reflection's per-frame partials into one counting-limited full before merging (orthogonal ScalingSettings::combine_3d flag, not a partiality model), with a de-biased Poisson variance. Crystal 2: ISa 1.7->8.4, R-meas ~67%->18.9%, intensities unchanged (CCref held). Quality metrics (b): R-meas (Diederichs-Karplus) + redundancy columns in MergeStats; ISa logged. jfjoch fulls 18.9% vs XDS 4.5% (same ASU/run). Profile-fit integrator (experimental): ProfileIntegrate2D (--integrator gaussian|empirical) is a reference-free, rot3d-compatible profile-fit extraction (the decomposed PixelRefine intensity step). Gaussian: R-meas 18.9->14.6%, ISa ->9.5. Anisotropy/per-region add nothing (the discriminating info is in the discarded rocking direction). See NEXTGEN_INTEGRATOR.md. --dump-observations exports the unmerged fulls for XDS comparison. Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>	2026-06-25 20:43:04 +02:00
leonarski_f	75e401f0e5	v1.0.0-rc.153 (#63) ... This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use. * jfjoch_broker: Add EXPERIMENTAL pixelrefine mode for image processing * jfjoch_broker: Allow to load user mask from 8-bit and 16-bit TIFF files * jfjoch_broker: Add ROI calculation in non-FPGA workflow * jfjoch_broker: Fixes to TCP image pusher * jfjoch_broker: Remove NUMA bindings * jfjoch_broker: Improvements to indexing * jfjoch_broker: For PSI EIGER, trimming energies are taken from the detector configuration (now compulsory) instead of hardcoded values * jfjoch_writer: Save ROI definitions and the per-pixel ROI bitmap in the master file; azimuthal ROIs support phi (angular) sectors * jfjoch_viewer: Major redesign with dockable panels and saved layouts, plus on-canvas creation/move/resize of box, circle and azimuthal ROIs * jfjoch_viewer: Run jfjoch_process reprocessing jobs from inside the GUI and overlay per-run results Reviewed-on: #63	2026-06-23 20:29:49 +02:00