leonarski_fandClaude Opus 5
8493095912
The error model says sigma -> b*I for strong reflections, so merged I/sigma flattens off at 1/b - the number reported as ISa. Plotting I/sigma against I with that asymptote drawn on it is what shows whether the reported ISa describes the data or comes from a degenerate fit, which nothing in the window could show before. A third page next to the per-shell plot and table. The merge carries a few thousand strided (I, sigma) pairs to the viewer for it - a shape, not a reflection list; the reflections themselves are in the .mtz/.cif. The hero row gains the Wilson B and the radiation-damage Delta-B. Both were already computed and already in MergeStatistics, so they only needed showing. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
55 lines
2.3 KiB
C++
55 lines
2.3 KiB
C++
// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
|
|
// SPDX-License-Identifier: GPL-3.0-only
|
|
|
|
#pragma once
|
|
|
|
#include <QWidget>
|
|
|
|
#include <cstdint>
|
|
#include <optional>
|
|
#include <utility>
|
|
#include <vector>
|
|
|
|
#include "../../image_analysis/scale_merge/Merge.h" // MergeStatistics
|
|
#include "../../image_analysis/scale_merge/TwinningAnalysis.h" // TwinningAnalysisResult
|
|
#include "../../image_analysis/scale_merge/SearchSpaceGroup.h" // SearchSpaceGroupResult
|
|
|
|
class QComboBox;
|
|
class QLabel;
|
|
class QStackedWidget;
|
|
class QTableWidget;
|
|
class JFJochSimpleChartView;
|
|
|
|
// Pop-up analysis window for a finished scaling/merging run: a row of eye-catching overall numbers
|
|
// (ISa, CC1/2, R-meas, completeness, multiplicity, the Wilson B and the radiation-damage Delta-B, and
|
|
// CCref when a reference was used) above a per-resolution-shell plot whose metric is chosen from a
|
|
// combo, a per-shell table, and an ISa diagnostic scatter. Opened automatically when a merge job
|
|
// finishes and on demand from the processing-jobs dock. Modeless; deletes on close.
|
|
class JFJochMergeStatsWindow : public QWidget {
|
|
Q_OBJECT
|
|
public:
|
|
JFJochMergeStatsWindow(const QString &title, const MergeStatistics &stats,
|
|
double isa, bool has_reference,
|
|
const TwinningAnalysisResult &twinning,
|
|
std::optional<int64_t> space_group_number,
|
|
const std::optional<SearchSpaceGroupResult> &space_group_search,
|
|
const std::vector<std::pair<float, float>> &merged_i_sigma,
|
|
QWidget *parent = nullptr);
|
|
|
|
private:
|
|
MergeStatistics stats_;
|
|
bool has_reference_;
|
|
QComboBox *metric_ = nullptr;
|
|
QLabel *metricLabel_ = nullptr; // "Metric:" — hidden in table view
|
|
QStackedWidget *stack_ = nullptr; // page 0: plot, page 1: table, page 2: ISa diagnostic
|
|
JFJochSimpleChartView *chart_ = nullptr;
|
|
QTableWidget *table_ = nullptr;
|
|
QWidget *isa_page_ = nullptr;
|
|
|
|
void updatePlot();
|
|
void buildTable();
|
|
// Merged I/sigma against I, with the reported ISa drawn as its asymptote. Returns nullptr when
|
|
// there is nothing to draw.
|
|
QWidget *buildIsaDiagnostic(const std::vector<std::pair<float, float>> &i_sigma, double isa);
|
|
};
|