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**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>
82 lines
3.6 KiB
C++
82 lines
3.6 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 <memory>
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#include <optional>
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#include <string>
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#include <vector>
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#include "JFJochReader.h"
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#include "JFJochReaderSpots.h"
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#include "HDF5ImageSource.h"
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#include "HDF5MetadataSource.h"
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#include "../writer/HDF5Objects.h"
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#include "../image_analysis/IntegrationOutcome.h"
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// Composes one shared raw-image source with one or more metadata sources ("snapshots") over the
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// same images: the original _master.h5 plus optional reprocessing _process.h5 results. The active
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// snapshot supplies the dataset and per-image metadata; the image source always supplies pixels,
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// so switching snapshots never reloads image data.
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class JFJochHDF5Reader : public JFJochReader {
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HDF5ImageSource image_source_;
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std::map<std::string, std::shared_ptr<HDF5MetadataSource> > snapshots_;
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std::shared_ptr<HDF5MetadataSource> active_metadata_;
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std::string active_snapshot_;
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size_t number_of_images = 0;
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bool LoadImage_i(std::shared_ptr<JFJochReaderDataset> &dataset,
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DataMessage &message,
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std::vector<uint8_t> &buffer,
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int64_t image_number,
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bool update_dataset) override;
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HDF5ImageLocator::Location GetImageLocation(int64_t image_number) const;
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public:
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~JFJochHDF5Reader() override = default;
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void ReadFile(const std::string &filename);
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uint64_t GetNumberOfImages() const override;
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void Close() override;
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// stride is the step in the SOURCE between consecutive images of the derived file: image i of the
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// output comes from source image first_image + i * stride. Pass the stride the caller processed
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// with, or the linked pictures and the per-image analysis describe different frames.
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std::vector<HDF5DataSourceMessage> GetHDF5DataSource(
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uint64_t first_image = 0,
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std::optional<uint64_t> image_count = {},
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uint64_t stride = 1
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) const;
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// Pixel format of the stored images. Needed by anything that links to them instead of writing
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// its own, since the experiment describes the reader's container rather than the file.
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[[nodiscard]] StoredPixelFormat GetStoredPixelFormat() const;
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std::vector<IntegrationOutcome> ReadReflections(size_t start_image = 0, std::optional<size_t> end_image = {}) const;
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std::vector<SpotToSave> ReadSpots(int64_t image) const override;
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// True if the loaded file stores spot-finding results; false for a plain DECTRIS dataset (no
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// /entry/MX), so callers can find spots instead of reusing absent ones.
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[[nodiscard]] bool HasStoredSpots() const;
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CompressedImage ReadCalibration(std::vector<uint8_t> &tmp, const std::string &name) const;
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std::shared_ptr<JFJochReaderRawImage> GetRawImage(int64_t image_number) override;
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// Metadata snapshots over the same images. The original file is registered as "Original" on
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// ReadFile and is the initial active snapshot; reprocessing results can be added later.
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void RegisterSnapshot(const std::string &name, const std::string &master_path);
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void RemoveSnapshot(const std::string &name); // "Original" cannot be removed
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void SetActiveSnapshot(const std::string &name);
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std::vector<std::string> SnapshotNames() const;
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std::string ActiveSnapshot() const;
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// All snapshot datasets (name -> dataset), for overlaying every run's plots at once.
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std::vector<std::pair<std::string, std::shared_ptr<const JFJochReaderDataset>>> AllSnapshotDatasets() const;
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};
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