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Jungfraujoch/reader/JFJochReaderDataset.h
leonarski_f 9aae0c2ba7
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v1.0.0-rc.169 (#79)
* Building Jungfraujoch no longer needs zlib or Eigen installed on the machine, and the dependencies the build fetches are pinned and updated to current releases.
* rugnux: improvements in indexing, lattice selection and geometry post-refinement, which index crystals that previously returned no lattice and keep the better of the two geometries a run measures.
* rugnux: improvements in beam-centre measurement, beam-stop detection and space-group determination.
* rugnux: the unit cell reported with a determined space group now obeys that group - a cell whose symmetry was confirmed from the intensities is re-refined under it, and a cell the group cannot describe is reported with a warning rather than as it stands.
* rugnux drops the stretches of a rotation sweep whose removal measurably improves the merged intensities and reports what became of every frame, and decides the resolution cut on the crystal's own diffraction rather than on its ice rings.
* The rugnux results report is machine-readable - every line that is not `KEY= value` data starts with `#` - and states the build it was written by, its authorship and its terms of use (`REPORT_VERSION= 8`).
* `jfjoch_viewer`: improvements in the file manager (CBF frames beside HDF5 datasets, a remembered root), the dataset plots, the inspector and the image statistics, plus a settable font size, a view of the rugnux results report, usable performance over a remote display (`ssh -X`) and a reset of all settings to defaults; the reciprocal-space window is removed.
* Broker fixes around DECTRIS collections and dark-mask calibration: re-initialising after a run that never started no longer freezes the broker, a cancelled calibration is abandoned instead of reported as done, and a collection whose start message never arrives ends by itself.

Reviewed-on: #79
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-09-15 17:09:31 +02:00

114 lines
4.9 KiB
C++

// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <string>
#include <array>
#include <optional>
#include <vector>
#include <map>
#include <memory>
#include "../common/DiffractionGeometry.h"
#include "../common/DiffractionExperiment.h"
#include "../common/PixelMask.h"
#include "../common/AzimuthalIntegrationMapping.h"
struct JFJochReaderDataset {
std::string arm_date;
DiffractionExperiment experiment;
// Shared, not copied, across dataset snapshots: the mask is constant for a run, so a per-frame
// dataset refresh / mutable copy must not clone the full-detector (~tens of MB) mask. Held as
// shared_ptr<const>; the rare edit (user mask) builds a fresh mask (copy-on-write). Never null.
std::shared_ptr<const PixelMask> pixel_mask = std::make_shared<const PixelMask>();
std::optional<int64_t> error_value;
// The master file's detect_ice_rings key, kept as written rather than collapsed to a bool, so a
// consumer can tell "the file asked for this" from "the file said nothing". Offline processing
// defaults ice handling by geometry when the file is silent (see rugnux_cli).
std::optional<bool> file_detect_ice_rings;
std::string jfjoch_release;
// Change of basis (3x3 integers, row major) from the setting the per-image reflections and
// lattices in this file were written in to the setting of experiment's unit cell and space group:
// hkl_cell = M . hkl_written. The per-image data are written as each image is processed, but the
// space group - and the conventional setting that comes with it - is only settled after the merge,
// so the two are not always the same setting. Empty means they are. Read straight from
// /entry/MX/reindexMatrix; the reader applies it, so everything this class hands out is already in
// the cell's setting.
std::optional<std::array<int32_t, 9>> reindex_matrix;
std::vector<float> az_int_bin_to_q;
std::vector<float> az_int_bin_to_phi;
size_t azimuthal_bins = 0;
size_t q_bins = 0;
std::vector<float> spot_count;
std::vector<float> spot_count_indexed;
std::vector<float> spot_count_low_res;
std::vector<float> spot_count_ice_rings;
std::vector<float> spot_count_ice_control;
std::vector<float> indexing_result;
std::vector<float> indexing_lattice_count;
std::vector<float> bkg_estimate;
// NaN entries are frames with no value (CANNOT SAY), not zeros.
std::vector<float> spindle_blind_fraction;
std::vector<float> ice_ring_score;
std::vector<float> resolution_estimate;
std::vector<float> efficiency;
std::vector<float> profile_radius;
std::vector<float> mosaicity_deg;
std::vector<float> b_factor;
std::vector<float> integrated_reflections;
std::vector<float> image_scale_factor;
std::vector<float> image_scale_cc;
std::vector<int64_t> max_value;
// Per-image sweep-quality code from /entry/MX/sweepQuality: 0 = the image is in no flagged range,
// otherwise a 1-based index into sweep_quality_reasons (the vocabulary stored beside it, so the
// codes read back without this source). Both empty when the file carries no sweep quality, which
// means the run never looked - not that every image was clean.
std::vector<uint8_t> sweep_quality;
std::vector<std::string> sweep_quality_reasons;
// Per-image disposition from /entry/MX/frameDisposition: a 0-based index into
// frame_disposition_codes (merged, downgraded, rejected). What was DONE with the image, where
// sweep_quality above says what was SEEN.
std::vector<uint8_t> frame_disposition;
std::vector<std::string> frame_disposition_codes;
// Maps this dataset's image index -> the original/collected image number it came from.
// Empty means identity (image i == original image i). Lets a dataset be a subset (or strided
// selection) of the truly collected images: reprocessing snapshots over a sub-range, and (in
// future) a main dataset that was filtered on-the-fly during collection.
std::vector<int> source_image_number;
std::vector<std::string> roi;
std::vector<std::vector<int64_t>> roi_sum;
std::vector<std::vector<int64_t>> roi_sum_sq;
std::vector<std::vector<int64_t>> roi_max;
std::vector<std::vector<int64_t>> roi_npixel;
std::vector<std::vector<float>> roi_x;
std::vector<std::vector<float>> roi_y;
// ROI definitions stored in the master file. The logical definitions populate
// experiment.ROI() (they re-derive with the current geometry); roi_map is the
// per-pixel bitmask as written (constant footprint), with roi_bit_index mapping
// each ROI name to its bit.
std::vector<uint16_t> roi_map;
std::map<std::string, uint16_t> roi_bit_index;
std::vector<std::string> calibration_data;
JFJochReaderDataset() = default;
JFJochReaderDataset(const JFJochReaderDataset &other) = default;
};