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Jungfraujoch/common/JFJochReceiverPlots.h
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v1.0.0.rc-162 (#72)
**Files written by Jungfraujoch now import correctly in DIALS, XDS and pyFAI.** A tilted detector, a grid scan, a still recorded at a goniometer position, and saturated or unreadable pixels were each described in a way that a third-party program acted on wrongly. If you process Jungfraujoch data outside Jungfraujoch, prefer this release to any earlier one.

* HDF5: the detector tilt (`rot1`/`rot2`/`rot3`) is exported correctly in the NXmx transformation chain; untilted geometries are unaffected.
* HDF5: a still recorded at a goniometer position is no longer read back as a single image, and a grid scan records a stationary spindle so a program that requires a rotation axis can open it.
* HDF5: the sample transformation chain is written in mounting order, with a Smargon head position told apart from the spindle, one entry per image, `module_offset` as a float unit vector, and `offset_units` on every offset.
* HDF5: saturated, underloaded and unreadable pixels are described so a downstream program masks them - `saturation_value`, `underload_value`, `error_value` and `bit_depth_readout` are written correctly, and a data file missing next to a VDS master reads as the error marker rather than as zero counts.
* HDF5: the rotation axis is read back under whatever name it carries, and `mirror_y` records whether the assembled image is mirrored in Y relative to the detector's raw readout.
* A grid scan and a goniometer axis can both be set; they are no longer alternatives.
* `images_per_file` is chosen from the acquisition when it is not given: a rotation sweep of at most 20000 images goes into a single data file, a grid scan splits on whole fast-axis rows, and stills and serial keep 1000.
* The writer refuses a stream whose start message declares a different pixel format than its images carry, and a DECTRIS detector sending signed images is no longer declared unsigned.
* The image stream can carry the sample transformation chain (`transformations`, in the END message); a producer that does not send it gets the same chain built by the writer.
* rugnux: fixing the space group with `-S` no longer prevents the lattice from being found - a lattice indexed in a different setting is reindexed into that group's own setting, and a run whose crystal does not have that group's lattice stops and names the cell it indexed as, rather than reporting statistics that cannot describe it.
* rugnux: the per-image resolution estimate now predicts the resolution the merged data reach rather than the highest-resolution spot found, and is reported as `SPOT_RESOLUTION_ESTIMATE`.
* rugnux: two runs of the same command on the same images produce the same merged intensities; the azimuthal profile written alongside them is not yet reproducible in the same way.
* rugnux: the offline lattice refinement is bounded by iterations rather than by a wall clock, so a loaded machine can no longer refine to a different lattice; a live acquisition keeps its real-time bound.
* rugnux: the detector-frame modulation correction is fitted on a grid spanning the detector, so whether it is applied no longer depends on how far integration reached.
* rugnux: the geometry pre-pass no longer writes `<prefix>_01.mtz`, `_01.cif`, `_01.hkl` and `_01_image.dat`; the refined second pass writes those files under `<prefix>`, and that is the result to use.
* rugnux: `_process.h5` describes the pixel format of the images it links to, and is written on a thread of its own.
* rugnux: the detector geometry is also logged in XDS's convention (`ORGX`/`ORGY`, detector axis vectors, rotation axis), so it can be compared with an XDS refinement.
* rugnux: an image integrated in pyFAI through the `.poni` file written by `--mode calibration` comes out with the correct azimuth, and the file declares pyFAI's `orientation`, which needs pyFAI 2024.01 or newer. Radial integration is unchanged.
* rugnux: a rotation run is substantially faster throughout - beam-stop detection, first-pass indexing, geometry refinement, integration, scaling and merging - and observations outside the scaling resolution range are dropped as they are ingested. The refined geometry, the space group chosen and the merged statistics are unchanged.
* Faster spot finding and indexing, on the broker as well as in rugnux; the spots found and the lattices indexed are unchanged.
* A run reserves substantially less GPU memory: nothing is allocated for buffers that are never read, and a worker builds only the engines it uses.
* rugnux: with `-N` left at its default the per-image loop of `--mode mx` uses at most 16 workers per GPU, rather than one per hardware thread; an explicit `-N` is obeyed as given.
* CUDA 12 builds now contain device code for Volta, so the RHEL 8 packages and the portable Linux `.tgz` run on a V100; the CUDA 13 artefacts (RHEL 9, Ubuntu, Windows) remain Turing and newer.
* The build resolves a single Eigen for the whole project, and refuses to configure if Ceres picks up a different one; a build that mixed two Eigen versions was undefined behaviour and crashed at -O2.
* Documentation: a security page, and the supported GPU generations and minimum NVIDIA driver version of every released artefact.

**Breaking change to OpenAPI** - regenerate the client (`jfjoch-client` 1.0.0-rc.162, `frontend/src/client`):
* `dataset_settings.images_per_file` is no longer `default: 1000` and no longer accepts `0`; it is optional, and its minimum is 1. A client sending `0` (previously "one file for the whole run") is now rejected - omit the field instead, which for a rotation sweep gives the same single file.
* `file_writer_format` now defaults to `NXmxVDS`, matching the server's own default and the layout recommended for DIALS, XDS and CrystFEL. A generated client that fills in schema defaults and does not set the format explicitly will write VDS masters where it previously wrote legacy ones; set `NXmxLegacy` explicitly to keep them.

---------

Co-authored-by: jungfrau <jungfrau@mx-aare-test.psi.ch>
Reviewed-on: #72
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-08-25 08:21:39 +02:00

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5.5 KiB
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// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <map>
#include <shared_mutex>
#include <string>
#include "StatusVector.h"
#include "Histogram.h"
#include "ADUHistogram.h"
#include "AutoIncrVector.h"
#include "DiffractionExperiment.h"
#include "AzimuthalIntegrationProfile.h"
#include "JFJochMessages.h"
#include "Plot.h"
#include "ScanResult.h"
struct MeanProcessingTime {
float compression;
float preprocessing;
float azint;
float spot_finding;
float indexing;
float refinement;
float integration;
float bragg_prediction;
float processing;
float indexing_analysis;
float image_scale;
};
class JFJochReceiverPlots {
mutable std::mutex m; // protects xfel_pulse_id, xfel_event_code and az_int_profile
std::optional<GoniometerAxis> goniometer;
std::optional<GridScanSettings> grid_scan;
int64_t default_binning = 1;
std::unique_ptr<AzimuthalIntegrationProfile> az_int_profile;
AutoIncrVector<uint64_t> xfel_pulse_id;
AutoIncrVector<uint64_t> xfel_event_code;
StatusVector bkg_estimate;
StatusVector ice_ring_score;
StatusVector spot_count;
StatusVector spot_count_low_res;
StatusVector spot_count_indexed;
StatusVector spot_count_ice;
StatusVector spot_count_ice_control;
StatusVector indexing_solution;
StatusVector indexing_lattice_count;
StatusVector indexing_uc_a;
StatusVector indexing_uc_b;
StatusVector indexing_uc_c;
StatusVector indexing_uc_alpha;
StatusVector indexing_uc_beta;
StatusVector indexing_uc_gamma;
StatusVector error_pixels;
StatusVector saturated_pixels;
StatusVector strong_pixels;
StatusVector receiver_delay;
StatusVector receiver_buf_available;
StatusVector receiver_buf_in_sending;
StatusVector receiver_buf_in_preparation;
StatusVector image_collection_efficiency;
StatusVector packets_received;
StatusVector max_value;
StatusVector resolution_estimate;
StatusVector integrated_reflections;
StatusVector image_scale_factor;
StatusVector image_scale_cc;
StatusVector compression_ratio;
// StatusVector objects are fully thread-safe (protected by internal mutex)
// It is OK to have concurrent access to StatusVector
// roi_m lock is needed to make sure that std::map<std::string, ROIStatus> is not mutable within critical section
// so no new elements added outside of a unique lock, but it is OK to modify ROIStatus under shared lock
struct ROIStatus {
StatusVector sum;
StatusVector max_count;
StatusVector pixels;
StatusVector x;
StatusVector y;
StatusVector mean;
};
mutable std::shared_mutex roi_m;
std::map<std::string, ROIStatus> roi_status;
StatusVector profile_radius;
StatusVector mosaicity_deg;
StatusVector b_factor;
StatusVector pixel_sum;
StatusVector beam_center_x;
StatusVector beam_center_y;
StatusVector spot_finding_time;
StatusVector indexing_time;
StatusVector refinement_time;
StatusVector integration_time;
StatusVector bragg_prediction_time;
StatusVector total_processing_time;
StatusVector preprocessing_time;
StatusVector compression_time;
StatusVector azint_time;
StatusVector indexing_analysis_time;
StatusVector image_scale_time;
MultiLinePlot GetROIPlot(PlotType type, int64_t nbins, float start, float incr,
const std::optional<float> &fill_value) const;
public:
void Setup(const DiffractionExperiment& experiment, const AzimuthalIntegrationMapping& mapping);
void Add(const DataMessage& msg, const AzimuthalIntegrationProfile &profile);
void AddEmptyImage(const DataMessage& msg);
MultiLinePlot GetPlots(const PlotRequest& request);
void GetXFELPulseID(std::vector<uint64_t>& v) const;
void GetXFELEventCode(std::vector<uint64_t>& v) const;
std::optional<float> GetIndexingRate() const;
std::optional<float> GetBkgEstimate() const;
std::optional<float> GetIceRingScore() const;
// Pooled over the run: spots on the hexagonal rings over the same q width of ice-free control
// flanks. 1 = spots spread evenly, > 1 = they pile up on the rings (textured ice).
[[nodiscard]] std::optional<float> GetIceRingSpotRatio() const;
// The run's spot-finding resolution estimate: the MEDIAN of the per-image estimates. A median and
// not a mean - a few blank or badly-shot frames pull a mean a long way and leave the median where
// the run actually is.
[[nodiscard]] std::optional<float> GetResolutionEstimate() const;
std::vector<float> GetIceRingScoreArray() const;
std::vector<float> GetAzIntProfile() const;
// The run-summed profile object itself, rather than the array GetAzIntProfile() flattens it to.
// Powder calibration reads the ring positions off it and wants its own GetResult(), which leaves a
// bin no pixel fell in as NaN - as 0 it would read as a deep hole in the ring instead. Null before
// Setup(); not synchronised, so use it once the run is over rather than while images arrive.
[[nodiscard]] const AzimuthalIntegrationProfile *GetAzIntProfileObject() const { return az_int_profile.get(); }
MultiLinePlot GetAzIntProfilePlot(bool force_1d = false, PlotAzintUnit azint_unit = PlotAzintUnit::Q_recipA) const;
MeanProcessingTime GetMeanProcessingTime() const;
void GetPlotRaw(std::vector<float> &v, PlotType type, const std::string &roi);
};