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* 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>
20 lines
1.1 KiB
C++
20 lines
1.1 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 <utility>
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#include <vector>
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// Serial stills given a cell: which frames belong to that crystal. A sample can hold two crystal forms
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// (a polymorph, a different hydration state), and a known-cell indexer fits both to the given cell's
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// orientation search - the refined cells then fall into two volume populations, and merging both mixes
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// two structures. The frames kept are the population the given cell sits in: the peak of the histogram
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// of v / v_given - 1 nearest to 0, out to the valley on either side that separates it from another
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// population. The histogram bin follows the spread of the data, so neither the
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// width of a population nor its distance to the next is a fixed number. A run with one population has
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// no such valley and keeps every frame.
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//
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// relative_volume: v / v_given - 1 per indexed frame. Returns the [low, high] range of it to keep.
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std::pair<double, double> GivenCellPopulation(const std::vector<double> &relative_volume);
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