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This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use. * **rugnux: significantly better quality of results, and faster.** A large rework of integration, scaling, merging, geometry refinement and space-group determination, together with measurements the program previously made no attempt at - the direct beam before indexing, the beam stop, the goniometer rotation scale, and the stretches of a sweep the crystal did not deliver. A rotation dataset typically gains observations at better <I/sigma> and R_meas, and every `mx` and `scale` run writes a `<prefix>_report.txt` results report modelled on XDS's `CORRECT.LP`. Many defaults moved with it: spot detection is self-calibrating, beam-stop detection and rotation geometry post-refinement are on, resolution limits default to as far as the detector reaches, and ice-ring handling engages only where the crystal is measured to have ice. * **jfjoch_viewer:** the beam-stop shadow, the detector calibration and the beam-centre measurement are reachable from "Analyze dataset"; the settings panel reports how the sample moved and how polarized the beam was; image rendering and interaction are faster. * **Performance:** bitshuffle+LZ4 images are decoded on the GPU rather than on the host, with the bitshuffle inverse fused into preprocessing so the decompressed frame is never held in device memory. * **Broker, writer, packaging and build:** image-slot lifetime and locking fixes, per-image datasets sized by the images actually written, the Debian/Ubuntu broker package renamed to `jfjoch`, and `image_analysis` compiling under MSVC again. **Breaking change to the rugnux command line:** * `--azint-only` and `--scale` are **removed**, replaced by `--mode azint` and `--mode scale`; the full pipeline is `--mode mx` and remains the default. A script passing the old flags now fails with the list of valid modes rather than silently running the wrong one. * `-t`/`--stride` is **refused on rotation data**: skipping frames cuts every reflection's rocking curve, so the combined fulls and their partiality would be measured over frames the sweep never recorded. Select a contiguous range with `-s`/`-e` instead. `--mode azint` and `--force-still` still take a stride. **Breaking changes to OpenAPI** - regenerate the client (`jfjoch-client` 1.0.0-rc.161, `frontend/src/client`) or read the affected fields as optional: * `image_scale_b` is removed from the `plot_type` enum, so a client requesting that plot now gets an error rather than a curve. * `azim_int_settings.high_q_recipA`, `spot_finding_settings.high_resolution_limit` and `spot_finding_settings.low_resolution_limit` are no longer `required`. All three mean "no limit at that end" when unset and are omitted from the response instead of carrying a placeholder value, which raises in a client generated from an rc.160-or-earlier spec. A value of 0 is still accepted and means the same thing. **Breaking changes to the stored formats** - a consumer reading these fields must treat them as optional: * The per-image image-scale B factor is no longer computed, so `/entry/MX/imageScaleBFactor` is absent from newly written HDF5 files and the corresponding key is absent from the CBOR DataMessage and END blocks. Files written by rc.160 and earlier still contain it and still open; nothing in the pipeline reads it any more. * `_reflns.jfjoch_diffrn_ISa` now carries the whole-range `1/sqrt(a*b)` that XDS's ISa denotes, and the error-model `a` and `b` are reported in XDS's convention; the strong-reflection asymptote moves to `_reflns.jfjoch_diffrn_ISa_asymptotic`. **A file written by an earlier version carries the asymptote under the plain `ISa` name.** Reviewed-on: #71 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
143 lines
5.2 KiB
C++
143 lines
5.2 KiB
C++
// SPDX-FileCopyrightText: 2024 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 <map>
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#include <shared_mutex>
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#include <string>
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#include "StatusVector.h"
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#include "Histogram.h"
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#include "ADUHistogram.h"
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#include "AutoIncrVector.h"
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#include "DiffractionExperiment.h"
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#include "AzimuthalIntegrationProfile.h"
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#include "JFJochMessages.h"
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#include "Plot.h"
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#include "ScanResult.h"
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struct MeanProcessingTime {
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float compression;
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float preprocessing;
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float azint;
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float spot_finding;
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float indexing;
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float refinement;
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float integration;
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float bragg_prediction;
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float processing;
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float indexing_analysis;
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float image_scale;
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};
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class JFJochReceiverPlots {
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mutable std::mutex m; // protects xfel_pulse_id, xfel_event_code and az_int_profile
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std::optional<GoniometerAxis> goniometer;
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std::optional<GridScanSettings> grid_scan;
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int64_t default_binning = 1;
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std::unique_ptr<AzimuthalIntegrationProfile> az_int_profile;
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AutoIncrVector<uint64_t> xfel_pulse_id;
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AutoIncrVector<uint64_t> xfel_event_code;
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StatusVector bkg_estimate;
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StatusVector ice_ring_score;
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StatusVector spot_count;
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StatusVector spot_count_low_res;
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StatusVector spot_count_indexed;
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StatusVector spot_count_ice;
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StatusVector spot_count_ice_control;
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StatusVector indexing_solution;
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StatusVector indexing_lattice_count;
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StatusVector indexing_uc_a;
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StatusVector indexing_uc_b;
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StatusVector indexing_uc_c;
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StatusVector indexing_uc_alpha;
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StatusVector indexing_uc_beta;
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StatusVector indexing_uc_gamma;
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StatusVector error_pixels;
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StatusVector saturated_pixels;
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StatusVector strong_pixels;
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StatusVector receiver_delay;
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StatusVector receiver_buf_available;
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StatusVector receiver_buf_in_sending;
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StatusVector receiver_buf_in_preparation;
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StatusVector image_collection_efficiency;
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StatusVector packets_received;
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StatusVector max_value;
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StatusVector resolution_estimate;
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StatusVector integrated_reflections;
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StatusVector image_scale_factor;
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StatusVector image_scale_cc;
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StatusVector compression_ratio;
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// StatusVector objects are fully thread-safe (protected by internal mutex)
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// It is OK to have concurrent access to StatusVector
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// roi_m lock is needed to make sure that std::map<std::string, ROIStatus> is not mutable within critical section
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// so no new elements added outside of a unique lock, but it is OK to modify ROIStatus under shared lock
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struct ROIStatus {
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StatusVector sum;
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StatusVector max_count;
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StatusVector pixels;
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StatusVector x;
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StatusVector y;
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StatusVector mean;
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};
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mutable std::shared_mutex roi_m;
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std::map<std::string, ROIStatus> roi_status;
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StatusVector profile_radius;
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StatusVector mosaicity_deg;
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StatusVector b_factor;
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StatusVector pixel_sum;
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StatusVector beam_center_x;
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StatusVector beam_center_y;
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StatusVector spot_finding_time;
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StatusVector indexing_time;
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StatusVector refinement_time;
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StatusVector integration_time;
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StatusVector bragg_prediction_time;
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StatusVector total_processing_time;
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StatusVector preprocessing_time;
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StatusVector compression_time;
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StatusVector azint_time;
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StatusVector indexing_analysis_time;
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StatusVector image_scale_time;
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MultiLinePlot GetROIPlot(PlotType type, int64_t nbins, float start, float incr,
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const std::optional<float> &fill_value) const;
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public:
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void Setup(const DiffractionExperiment& experiment, const AzimuthalIntegrationMapping& mapping);
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void Add(const DataMessage& msg, const AzimuthalIntegrationProfile &profile);
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void AddEmptyImage(const DataMessage& msg);
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MultiLinePlot GetPlots(const PlotRequest& request);
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void GetXFELPulseID(std::vector<uint64_t>& v) const;
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void GetXFELEventCode(std::vector<uint64_t>& v) const;
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std::optional<float> GetIndexingRate() const;
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std::optional<float> GetBkgEstimate() const;
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std::optional<float> GetIceRingScore() const;
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// Pooled over the run: spots on the hexagonal rings over the same q width of ice-free control
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// flanks. 1 = spots spread evenly, > 1 = they pile up on the rings (textured ice).
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[[nodiscard]] std::optional<float> GetIceRingSpotRatio() const;
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std::vector<float> GetIceRingScoreArray() const;
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std::vector<float> GetAzIntProfile() const;
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// The run-summed profile object itself, rather than the array GetAzIntProfile() flattens it to.
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// Powder calibration reads the ring positions off it and wants its own GetResult(), which leaves a
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// bin no pixel fell in as NaN - as 0 it would read as a deep hole in the ring instead. Null before
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// Setup(); not synchronised, so use it once the run is over rather than while images arrive.
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[[nodiscard]] const AzimuthalIntegrationProfile *GetAzIntProfileObject() const { return az_int_profile.get(); }
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MultiLinePlot GetAzIntProfilePlot(bool force_1d = false, PlotAzintUnit azint_unit = PlotAzintUnit::Q_recipA) const;
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MeanProcessingTime GetMeanProcessingTime() const;
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void GetPlotRaw(std::vector<float> &v, PlotType type, const std::string &roi);
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};
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