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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. * Analysis: The azimuthal-integration solid-angle correction now follows the incidence angle to the detector normal (`cos^3` of that angle) instead of `cos^3(2*theta)`, so it is correct for a tilted detector and matches PyFAI `solidAngleArray` and MAX IV azint (unchanged for an untilted detector). Crystal geometry refinement (`XtalOptimizer`) no longer silently ignores an imported PONI `rot3` (rotation about the beam): it is applied as a fixed rotation in the residual so refinement stays consistent with the rest of the pipeline. Polarization and azimuthal binning already honoured `rot3` through the full PONI rotation. * jfjoch_viewer: Open datasets on the WSL2/UNC filesystem (paths starting `\\`); write processing outputs next to the input file, with a Browse button and independent `_process.h5` / merged `.mtz`/`.cif` toggles; and show the determined space group in the merge-statistics window. * rugnux: Accept an absolute `-o` output prefix in offline processing. * Packaging: The self-contained Linux viewer `.tgz` now bundles cuFFT, so it runs without a system CUDA toolkit (`.deb`/`.rpm` are unchanged, distro-managed). * Docs: Bring the analysis references up to date with the code. `docs/CPU_DATA_ANALYSIS.md` now reflects the unified profile-fit Bragg integration engine, multi-lattice indexing, azimuthal phi binning, the radial parallax/bandwidth profile with sub-pixel centring, the rot3d capture-fraction handling and the automatic CC1/2 resolution cutoff, and drops the descriptions of features that were never implemented (French-Wilson amplitudes, the still excitation-error partiality model); `docs/RUGNUX.md` documents the new `--resolution-cutoff`/`--resolution-cc-target`/`--resolution-shells`, `--min-captured-fraction`, `--mosaicity`, `--reference-column`, the azimuthal correction toggles and the geometry-override options, and corrects the `-N` default. The outdated in-source design notes (ICE_RING_DETECTION, BRAGG_INTEGRATION_ENGINE, NEXTGEN_INTEGRATOR) are removed.Reviewed-on: #68 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
43 lines
2.5 KiB
C++
43 lines
2.5 KiB
C++
// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#pragma once
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#include <optional>
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#include <string>
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#include <vector>
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#include "../../common/Logger.h"
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#include "../../common/Reflection.h" // MergedReflection
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#include "../../common/ScalingSettings.h" // ResolutionCutoffMethod
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// Automatic high-resolution cutoff from the CC1/2 fall-off of the merged half-sets (DIALS-style).
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// The merge itself, the error model and the per-image _process.h5 are left untouched - only the
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// written reflections and the reported shell table should be trimmed to the returned d_cut.
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//
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// Method (see docs/rugnux_resolution_cutoff_design.md): bin CC1/2 against s = 1/d^2 in fine bins,
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// fit a logistic CC1/2(s) = 1/(1+exp(k*(s-s0))) to the contiguous-from-low-res fall-off, take the s
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// where the fit crosses cc_target, then extend by one mean (10-shell) shell width in s ("one shell
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// too far", generous). d_cut is nullopt when the fit is degenerate (too few bins, flat/non-monotone)
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// or CC1/2 never falls below cc_target inside the measured range - the caller then keeps the full
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// range. cc_target in (0,1); merged must carry finite I_half[0]/I_half[1] to contribute.
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struct ResolutionCutoffResult {
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std::optional<double> d_cut; // high-resolution limit (A); nullopt => keep the full range
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std::string note; // human-readable description of the decision (for logging)
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};
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ResolutionCutoffResult ComputeCCHalfLogisticCutoff(const std::vector<MergedReflection> &merged,
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double cc_target, Logger &logger);
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// Resolve the effective high-resolution limit and trim `merged` to it, in one place shared by the
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// stills merge, the rotation merge and the offline --scale path. A manual limit (manual_limit) wins;
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// otherwise, unless this is a P1 space-group search merge (for_search), the CCHalfLogistic method
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// takes the auto CC1/2 cutoff. Reflections beyond the resolved limit are erased from `merged`.
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// Returns the applied limit (nullopt => the full range was kept). The decision is logged as before.
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std::optional<double> ApplyResolutionCutoff(std::vector<MergedReflection> &merged,
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std::optional<double> manual_limit,
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ResolutionCutoffMethod method,
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double cc_target,
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bool for_search,
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Logger &logger);
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