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Jungfraujoch/rugnux/ModuleDiagnostics.h
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v1.0.0-rc.178 (#88)
* Rugnux: Processes serial crystallography data from XFELs - SACLA (MPCCD), PAL-XFEL and European XFEL (CXI), LCLS (XTC) and SwissFEL Alvra (JUNGFRAU with a CrystFEL module geometry) - with several files or Jungfraujoch master files merged in one run (`rugnux *_master.h5`).
* Rugnux: Stills processing takes a known unit cell and space group as a starting point, finds the beam centre (and, with a cell, the detector distance) from the images, detects the saturation level in other facilities' files and refines the placement of individual detector panels.
* Rugnux: The stills report gives R_split and CC1/2 from frame half-sets, comparable with CrystFEL.
* jfjoch_viewer: Opens the same XFEL file formats.
* Validation: A stills battery checks Rugnux against deposited structures from SACLA, PAL-XFEL, LCLS, European XFEL and SwissFEL.
* Rugnux: More reliable convergence of rotation scaling, and live molecular replacement starts as soon as the model is uploaded.
* jfjoch_broker: Initialize clears the previous dataset's bearer tokens, image buffer and live Rugnux status, and a slow CUDA JIT cache is reported at start.

Reviewed-on: #88
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-10-21 11:20:01 +02:00

32 lines
1.5 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <string>
#include <vector>
#include "../common/DiffractionGeometry.h"
#include "../common/UnitCell.h"
#include "../image_analysis/geom_refinement/GeometryRefiner.h"
// Tests of whether a module placement is the detector's metrology or something else absorbed module by
// module (--refine-modules=diagnose): the placement against the modules' radius and resolution, its global
// patterns, frame-bootstrap errors, fits on low- and high-resolution spots apart, a perturbed start, inner
// against outer modules, a placement of synthetic spots with no module error (and with parallax added),
// the cell set free and the tilt refined. Everything goes to the log, one line per number, under the
// "ModuleDiag" tag, for a script to tabulate.
struct ModuleDiagnosticsInput {
DiffractionGeometry nominal;
UnitCell cell;
std::vector<GeomRefineFrame> frames; // the placement's frames, each spot's module assigned
std::vector<ModuleShift> centres; // the modules, unmoved
std::vector<ModuleShift> start; // where the placement started (after the coarse search)
GeometryRefinerSettings settings; // as the placement ran
GeometryRefinerResult placed; // the placement
std::string sensor_material;
double sensor_thickness_um = 0;
};
void RunModuleDiagnostics(const ModuleDiagnosticsInput &in);