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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

78 lines
3.1 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <cstdint>
#include <optional>
#include <string>
#include <vector>
// Where the panels of a stills detector lie and what their pixels are worth, as the XFEL readers
// gather it from a file's own metadata (or, while it is still read, a CrystFEL geometry file): the
// panels with their pixel ranges in the stored frame, fast/slow-scan directions and corners, the camera
// length, the pixel size, the gain and the regions to leave out. The conventions are CrystFEL's - a
// corner is the very corner of the panel's first pixel, x and y in pixels in the detector plane.
//
// Lengths are in pixels, except the camera length, which is held in metres. A value taken from the
// image files (a camera length or photon energy stated per shot) is kept as its path, with the factor
// that turns the stored number into the unit held here.
namespace xfel {
// A number stated in the layout, or a path to it in the image file, times scale.
struct Value {
std::string path; // empty: value holds the number
double value = 0;
double scale = 1; // what one stored unit at path is worth
};
struct Panel {
std::string name;
int64_t min_fs = 0, max_fs = 0, min_ss = 0, max_ss = 0; // inclusive, in the stored frame
double fs_x = 1, fs_y = 0, ss_x = 0, ss_y = 1;
double corner_x = 0, corner_y = 0;
double res = 0; // pixels per metre
std::optional<Value> clen; // metres
double coffset = 0; // metres
std::optional<double> adu_per_eV;
std::optional<double> adu_per_photon;
std::optional<double> max_adu;
int64_t mask_edge_pixels = 0;
bool no_index = false;
};
// A region to leave out: either a pixel range on one panel (or, in the old syntax, on the whole
// frame), or a box in the laboratory plane, in pixels.
struct BadRegion {
std::string panel; // empty: fs/ss are whole-frame coordinates
bool in_lab = false;
double min_x = 0, max_x = 0, min_y = 0, max_y = 0;
int64_t min_fs = 0, max_fs = 0, min_ss = 0, max_ss = 0;
};
// A mask array: a pixel is bad where it has any of bad's bits set, or lacks any of good's - or, with
// nonzero_good, where the array is zero.
struct Mask {
std::string data; // HDF5 path
std::string file; // file holding it, or empty for the image file itself
uint32_t good = 0, bad = 0;
bool nonzero_good = false;
[[nodiscard]] bool Bad(uint32_t v) const {
return (bad != 0 && (v & bad) != 0) || (good != 0 && (v & good) != good) || (nonzero_good && v == 0);
}
};
struct Layout {
std::vector<Panel> panels;
std::vector<BadRegion> bad;
std::vector<Mask> masks;
std::string data = "/data/data";
std::optional<Value> photon_energy; // eV
std::optional<Value> wavelength; // Angstrom; used where no photon_energy is stated
// A stored value below, above or at these marks a pixel unusable in that frame.
std::optional<double> flag_lessthan, flag_morethan, flag_equal;
};
} // namespace xfel