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* Rugnux: Performance improvements on GPU and CPU (more of the pre-scan and of scaling on the GPU, faster CPU spot finding and crystal refinement), with unchanged results. * Rugnux: More robust processing - patches of persistently hot pixels are masked, an inconsistent merge triggers a retry at the measured beam centre, and builds targeting different CPU levels give the same results. * Rugnux: Improved scaling and merging - reflections with an overloaded pixel are dropped, as in XDS, sparse rotation sweeps are scaled more reliably, and French-Wilson amplitudes use an anisotropic Wilson prior. * Rugnux: Improved space-group determination - glide planes in groups without a centre of symmetry, screw axes from short or weak axial rows kept when a higher group is adopted, and more reliable decisions on twinned and pseudo-symmetric crystals. * Rugnux: Improved small-molecule processing - spots that grow wider than the integration disk and split spots are integrated over their measured footprint, sparse lattices are integrated on every frame, and the `.hkl` file holds unmerged scaled reflections (SHELX HKLF 4). * Rugnux: Reads Rigaku d*TREK SMV images (Saturn CCD), including detector 2theta and encoded pixel overflows; home-source (rotating-anode) datasets were added to the validation battery. * jfjoch_viewer: Fixed processing failing at the end with "Wrong JPEG library version" on Linux; the merge window shows the space group with proper subscripts and a checklist of crystal pathologies. Reviewed-on: #84 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
60 lines
2.6 KiB
C++
60 lines
2.6 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 <QWidget>
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#include <cstdint>
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#include <optional>
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#include <utility>
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#include <vector>
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#include "../../image_analysis/scale_merge/Merge.h" // MergeStatistics
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#include "../../image_analysis/scale_merge/TwinningAnalysis.h" // TwinningAnalysisResult
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#include "../../image_analysis/scale_merge/SearchSpaceGroup.h" // SearchSpaceGroupResult
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#include "../../rugnux/ReportDocument.h" // ReportCheck
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class QComboBox;
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class QLabel;
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class QStackedWidget;
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class QTableWidget;
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class JFJochSimpleChartView;
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// Pop-up analysis window for a finished scaling/merging run: a row of eye-catching overall numbers
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// (ISa, CC1/2, R-meas, completeness, multiplicity, the Wilson B and the radiation-damage Delta-B, and
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// CCref when a reference was used) and the report's pathology checklist above a per-resolution-shell plot whose metric is chosen from a
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// combo, a per-shell table, and an ISa diagnostic scatter. Opened automatically when a merge job
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// finishes and on demand from the processing-jobs dock. Modeless; deletes on close.
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class JFJochMergeStatsWindow : public QWidget {
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Q_OBJECT
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public:
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// `report` is the rugnux result report text (<prefix>_report.txt), shown as its own view.
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JFJochMergeStatsWindow(const QString &title, const MergeStatistics &stats,
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double isa, bool has_reference,
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const TwinningAnalysisResult &twinning,
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const std::optional<gemmi::SpaceGroup> &space_group,
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const std::optional<SearchSpaceGroupResult> &space_group_search,
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const std::vector<std::pair<float, float>> &merged_i_sigma,
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const QString &report,
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const std::vector<ReportCheck> &checks,
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QWidget *parent = nullptr);
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private:
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MergeStatistics stats_;
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bool has_reference_;
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QComboBox *metric_ = nullptr;
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QLabel *metricLabel_ = nullptr; // "Metric:" — hidden in table view
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QStackedWidget *stack_ = nullptr; // page 0: plot, page 1: table, page 2: ISa, page 3: report
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JFJochSimpleChartView *chart_ = nullptr;
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QTableWidget *table_ = nullptr;
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QWidget *isa_page_ = nullptr;
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QWidget *report_page_ = nullptr;
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void updatePlot();
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void buildTable();
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// Merged I/sigma against I, with the reported ISa drawn as its asymptote. Returns nullptr when
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// there is nothing to draw.
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QWidget *buildIsaDiagnostic(const std::vector<std::pair<float, float>> &i_sigma, double isa);
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};
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