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Jungfraujoch/image_analysis/scale_merge/CellPopulation.h
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leonarski_f afbe844b20
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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

20 lines
1.1 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <utility>
#include <vector>
// Serial stills given a cell: which frames belong to that crystal. A sample can hold two crystal forms
// (a polymorph, a different hydration state), and a known-cell indexer fits both to the given cell's
// orientation search - the refined cells then fall into two volume populations, and merging both mixes
// two structures. The frames kept are the population the given cell sits in: the peak of the histogram
// of v / v_given - 1 nearest to 0, out to the valley on either side that separates it from another
// population. The histogram bin follows the spread of the data, so neither the
// width of a population nor its distance to the next is a fixed number. A run with one population has
// no such valley and keeps every frame.
//
// relative_volume: v / v_given - 1 per indexed frame. Returns the [low, high] range of it to keep.
std::pair<double, double> GivenCellPopulation(const std::vector<double> &relative_volume);