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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>
74 lines
4.2 KiB
C++
74 lines
4.2 KiB
C++
// SPDX-FileCopyrightText: 2025 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 <cstdint>
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#include <vector>
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#include "../../common/DiffractionSpot.h"
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#include "../image_preprocessing/ImagePreprocessorBuffer.h"
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class ImageSpotFinder {
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// Flat index of every strong pixel of the current image that passed the resolution mask, and its
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// value. Kept as members only to reuse the allocation from image to image.
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std::vector<uint32_t> strong_pixel;
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std::vector<int32_t> strong_pixel_value;
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protected:
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const int32_t width, height;
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std::vector<uint32_t> output_buffer;
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// Pixels excluded from spot finding, packed the same way as output_buffer (bit set = excluded).
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// The bits past the last image pixel are set at construction, so the padding of the last word
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// needs no separate guard. Default: nothing excluded.
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std::vector<uint32_t> res_mask_bits;
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// The connected components of the last extraction. A member so ExtractComponents can hand out a
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// reference and reuse the allocation from image to image.
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std::vector<DiffractionSpot> components;
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// host_bit_buffer = false leaves output_buffer empty: the GPU finders extract on the device and
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// never read the bit buffer on the host, so allocating and pinning 2.26 MB per engine (at 18 MP)
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// would be pure waste for them.
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ImageSpotFinder(int32_t width, int32_t height, bool host_bit_buffer = true);
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size_t OutputSize() const;
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size_t OutputByteSize() const;
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// Host extraction: scan the bit buffer, gather the values, run the connected-component search.
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void ExtractComponentsHost(const ImagePreprocessorBuffer &image, const SpotFindingSettings &settings);
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public:
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constexpr static int32_t MIN_VALID_PIXELS = 100;
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constexpr static int NBX = 15;
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virtual ~ImageSpotFinder() = default;
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// Detect flags the image's strong pixels into the internal bit buffer - the expensive step (local
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// box or per-ring background over every pixel). ExtractComponents then builds the connected
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// components from those pixels.
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virtual void Detect(const ImagePreprocessorBuffer &image, const SpotFindingSettings &settings) = 0;
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// Peak-excluded per-ring background of the last Detect(), in the bins of the azimuthal-integration
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// mapping and in raw photon counts. Only the adaptive finders build one (it is what sets their
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// threshold); empty for everyone else, and for a frame with nothing valid to reduce.
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[[nodiscard]] virtual const std::vector<float> &GetRingBackground() const;
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// Pixels to ignore, one bool per pixel (true = ignore). Set when the resolution limits change,
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// not per image: the GPU finders keep a bit-packed device copy of it, and re-uploading that for
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// every image would cost more than the extraction it feeds.
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void SetResolutionMask(const std::vector<bool> &mask);
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// The same mask already packed 32 pixels to a word, which is how the finders keep it. Every
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// worker's finder is given the identical mask, so the packing is done once by whoever owns the
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// resolution map rather than by each of them (AzimuthalIntegrationMapping::ResolutionMaskBits).
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virtual void SetResolutionMaskBits(const std::vector<uint32_t> &packed_mask);
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// Every connected component of the last Detect() with at most max-pix pixels. min-pix is NOT
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// applied here on purpose - it is the only spot setting that changes between the passes of the
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// per-image min-pix search, so ONE extraction serves all three of them.
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virtual const std::vector<DiffractionSpot> &ExtractComponents(const ImagePreprocessorBuffer &image,
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const SpotFindingSettings &settings);
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// The components that also pass min-pix.
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static std::vector<DiffractionSpot> Filter(const std::vector<DiffractionSpot> &in,
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const SpotFindingSettings &settings);
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std::vector<DiffractionSpot> ExtractSpots(const ImagePreprocessorBuffer &image, const SpotFindingSettings &settings);
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std::vector<DiffractionSpot> Run(const ImagePreprocessorBuffer &image, const SpotFindingSettings &settings);
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};
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