The rc178 branch continued after #88 was squash-merged; this is its content fromb9ada7914(the tree #88 squashed) to094eee31a, as one change on main. The individual commits stay on the rc178 branch: - still battery: --cold evicts each set's input from the page cache; Alvra pixel masks; manifest fixes - AGIPD: converter to one rigid panel per module, int16 photons, mask folded in; still battery reads the converted sets - DetectorModules: panel look-up by id, plane -> panel, plane bounds and a per-pixel walk; mask size checked - tests: [PanelLayout] equivalence harness, stacked vs assembled panel layout - Dense per-pixel maps through the panel table (panel layout stage 1) - Panel id on spots and the panel table in the start message - Viewer and preview show a panel detector as it lies on the detector plane - Panel layout stage 3: per-panel spot finding (CPU+GPU, CCL) and raster algorithms on the plane raster - Panel layout stage 2: prediction and Bragg integration through the panel table - XTC reader: frames handed up as stored, streams indexed in parallel - XFEL reader: integer frames stay integer, one gain, placement by panel - EXTERNAL_TEST_DATA_STILLS.md: images used vs the entry for every set; drop "Not in the battery" - still battery: EuXFEL sets read the depositors' Cheetah CXI files directly; AGIPD converter removed - float32_to_int16.py: a non-finite pixel becomes -32768, the int16 error marker, not a zero count - CrystFEL geometry: read the pixel masks and bad regions instead of ignoring them - Panel layout stage 5: the XFEL reader hands up the stored frame and its panel table - Panel table persisted in NXmx; modulation grid and pre-scan memo key on the plane - still battery: Alvra sets take their pixel mask from the CrystFEL geometry, not --mask-good - still battery: take the deposited model as mmCIF where the RCSB has no PDB-format file - still battery: dimple gets PDB-format coordinates converted from an mmCIF-only deposition - stills fixed cost: geometry refinement and pre-scan do the same work in less wall time - stills geometry sample and trial spot finding run as many workers as the image pass - Stills integration: background ring reach measured on empty apertures, radial curvature from the whole frame - StillsPartialityRefine: the partiality width is the run's, measured on the crystals, not the prediction window's - MergeOnTheFly: capture term and multiplicative outlier band for the stills merge (both opt-in) - Stills given a cell: the written cell is the mean over the frames that are merged - Stills: the radial curvature correction decided per run on the same empty apertures - StillsPartialityRefine: measure the run width only on shells with signal - Stills pre-scan: report the paired z of the radial-correction comparison - module placement: the five concurrent fits each keep every thread - still battery: score R-free against the deposited data through the same dimple protocol - still battery: the R-free target is the lower of the deposition's dimple and published values - Stills: background clip follows the radial curve; signal disk from the lattice spacing - Stills keep an overloaded observation as a lower bound instead of dropping it - Stills: drop the lattice-spacing signal disk; the correction decision back on the plain clip - battery: R-free against the deposition without refinement only, one protocol for rotation and stills - still battery: EuXFEL sets run on a 2,000-image subset for now - stills geometry refinement: fit the detector distance and the cell together - stills geometry refinement: a distance given with --detector-distance is held in the joint fit - Metal integration engine: back to its panel-s5 kernels; Mac stills keep the old clip, no saturation count - Metal integration test: the CPU comparison runs on a rotation experiment - Stills: kept overloads go back to the drop where they are not concentrated at low resolution - stills distance search: an absolute 30-3000 mm scan, a sample found without d-limits, the fit iterated - battery results: XFEL still battery 20261022-1358 on rc1780cf62452c- 12 sets, cold, R_free unrefined - battery results: still summary gains the resolution of our merge and of the deposition - Pre-scan masks a pixel at the saturation limit on most frames, as one holding the error value - Stills keep an overload as a lower bound only where it has pixels at the limit; run-level gate removed - XFEL reader: a per-frame mask is read the way the frames are, its chunk inflated outside the HDF5 lock - stills distance search: every centre scanned with a wider acceptance, a larger sample where nothing indexes - rugnux usage: --beam-center-check describes the absolute 30-3000 mm stills distance scan, not the old 60-160 % grid - stills: detector tilt refined in the geometry pre-pass, kept where held-out frames agree - CLAUDE.md: the changelog is written once, just before the merge into main - condensed one-liners of what users get - broker: serve the placed model and its maps of the last rugnux live run (/rugnux/model.cif, /rugnux/map.ccp4) - frontend: Mol* viewer of the placed model and its density on the Rugnux live page - writer: _model.cif from rugnux live keeps the input model's metadata, as the served model.cif does - rugnux live maps: one unit cell centred on the model; the viewer opens on all of it - Anomalous difference map: ANOM/PHANOM in _maps.mtz, /rugnux/map.ccp4?type=anom, a magenta mesh in the viewer - Mol* viewer: open with the maps drawn within 10 A of the centre of view - Mol* viewer: aaredb's structure-viewer setup, on a black stage - rugnux: the gain of a stills file that states none is read off its single-photon peak where the background resolves photons - Mol* viewer: in line with AareDB's StructureView at its current head (8ece2c2) - ACKNOWLEDGEMENT: the web frontend's Mol* viewer follows AareDB's setup (G. Gotthard, PSI) - stills tilt decision: the modules stay where the run placed them - still battery: no distance pins and no per-set tuning flags; gain from the data except where a file's baseline hides it - battery results: rc178 6f6f69 - full still battery and full rotation battery with REFMAC - Bragg integration: a CCD rotation sweep's sigmas at the measured gain, intensities in photons - BackgroundGain: the gain of a frame that resolves photons is the spacing of its photon peaks, so a baseline left in the frame no longer hides it - ShadowFinder: measure the background's azimuthal modulation instead of predicting it from the polarization - BackgroundGain: one gain estimate for rotation and stills; the still battery no longer gives EuXFEL 152 its gain - ShadowFinder: measure the modulation robustly under a wide one-sided shadow - ShadowFinderTest: a one-sided shadow is not fitted as part of the background's modulation - ShadowFinder: back to the predicted polarization factor, in the plane the background shows - MXAnalysisAfterFPGA: the Bragg engine's edge mask in the image's layout, so raw / untransformed FPGA runs start again - battery results: still battery on rc178 e54f55 replaces the earlier rc178 still tables - XFELReader: per-frame mask and photon conversion without a library call or a branch per pixel - stills geometry trial: the hypotheses a search asks are indexed side by side - stills tilt decision: the fits start beside the pre-scan and the geometry trial - XFELReader: a deflated frame is inflated and converted a piece at a time, while it is in the cache - XFELReader: a byte-shuffled frame is unshuffled a piece at a time, a whole pixel per step - GeometryRefiner: residuals carry only the blocks a fit moves; beam and distance one block - GeometryRefiner: a spot's residual differentiates its observed and predicted halves apart - docs: EXTERNAL_TEST_DATA lists every open-arm battery set, with corrected values and counts - battery: doc_check.py cross-checks the manifests against the dataset pages - stills module placement: the placement fit gets half the threads, each held-out fit an eighth - still battery: the EuXFEL sets run on all their frames, as the published still runs did - battery results: still battery on rc178 a0ce6c, cold on a quiet machine, replaces the earlier rc178 table - macOS build: explicit size_t in the XFEL reader's row bounds; parentheses in the CPU preprocessor's select Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
214 lines
9.9 KiB
C++
214 lines
9.9 KiB
C++
// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#include "JFJochXTCReader.h"
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#include <algorithm>
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#include <atomic>
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#include <cmath>
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#include <future>
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#include <map>
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#include <numeric>
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#include <thread>
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#include "../common/JFJochException.h"
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#include "../common/Logger.h"
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namespace {
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// The pixel size of a Rayonix image, from the model name - an MX340-HS is 340 mm across - and the
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// image's width. Only where the width times the binning is a whole readout of 3840, 5760 or 7680
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// pixels, i.e. no region of interest was read out.
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std::optional<double> RayonixPixel_um(const std::string &model, uint32_t binning, uint32_t width) {
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if (!model.starts_with("MX") || binning == 0)
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return std::nullopt;
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const auto digits = model.substr(2, model.find_first_not_of("0123456789", 2) - 2);
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if (digits.empty())
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return std::nullopt;
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const uint64_t native = static_cast<uint64_t>(width) * binning;
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if (native != 3840 && native != 5760 && native != 7680)
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return std::nullopt;
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return std::stod(digits) * 1000.0 / width;
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}
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} // namespace
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bool JFJochXTCReader::CanRead(const std::string &path) {
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return xtc::CanRead(path);
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}
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void JFJochXTCReader::ReadFiles(const std::vector<std::string> &streams) {
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Close();
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Logger logger("XTCReader");
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std::vector<xtc::Frame> all;
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std::vector<double> energies;
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std::string model;
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uint32_t binning = 0;
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size_t damaged = 0;
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// The streams are indexed in parallel: each is a walk of small reads from one place in the file to the
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// next, which on a run not in the page cache waits on the disk one read at a time.
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std::vector<xtc::Index> indices(streams.size());
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{
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std::atomic<size_t> next = 0;
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const size_t nthreads = std::min<size_t>(streams.size(), std::max(1u, std::thread::hardware_concurrency()));
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std::vector<std::future<void>> workers;
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for (size_t t = 0; t < nthreads; t++)
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workers.push_back(std::async(std::launch::async, [&] {
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for (size_t i = next.fetch_add(1); i < streams.size(); i = next.fetch_add(1))
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indices[i] = xtc::IndexFile(streams[i]);
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}));
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for (auto &w: workers)
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w.get();
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}
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for (size_t s = 0; s < streams.size(); s++) {
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const auto &stream = streams[s];
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const auto &index = indices[s];
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all.insert(all.end(), index.frames.begin(), index.frames.end());
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energies.insert(energies.end(), index.photon_energy_eV.begin(), index.photon_energy_eV.end());
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if (!index.rayonix_model.empty()) {
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model = index.rayonix_model;
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binning = index.rayonix_binning;
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}
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damaged += index.damaged;
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if (index.truncated)
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logger.Warning("{} ends inside its last event, which is left out", stream);
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}
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// The diffraction detector is the camera with the largest image. Another camera of the same size
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// would make that choice a guess, so it is refused; an event without it is left out.
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std::map<uint64_t, uint64_t> area;
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for (const auto &f: all)
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area[f.source] = static_cast<uint64_t>(f.width) * f.height;
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if (area.empty())
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"No camera images found in the XTC streams given");
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const auto largest = std::max_element(area.begin(), area.end(),
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[](const auto &a, const auto &b) { return a.second < b.second; });
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if (std::count_if(area.begin(), area.end(), [&](const auto &a) { return a.second == largest->second; }) > 1)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"The XTC streams hold images of the same size from more than one camera; which is the "
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"diffraction detector is not clear");
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for (const auto &f: all)
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if (f.source == largest->first)
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frames_.push_back(f);
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for (const auto &f: frames_)
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if (f.width != frames_.front().width || f.height != frames_.front().height)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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f.file + ": the images are not all the same size");
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if (damaged > 0)
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logger.Warning("{} damaged, compressed or unknown-version images left out", damaged);
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const auto &f0 = frames_.front();
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if (!energies.empty())
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photon_energy_eV_ = std::accumulate(energies.begin(), energies.end(), 0.0) / static_cast<double>(energies.size());
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pixel_um_ = RayonixPixel_um(model, binning, f0.width);
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dataset_ = std::make_shared<JFJochReaderDataset>();
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dataset_->experiment = default_experiment;
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DetectorSetup detector = DetDECTRIS(f0.width, f0.height, model.empty() ? "XTC camera" : model, {});
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// A CCD: the phosphor converts at the surface, so there is no depth to correct parallax for.
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detector.SensorThickness_um(0);
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detector.SaturationLimit(65535);
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detector.BitDepthImage(32);
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detector.MinFrameTime(std::chrono::microseconds(0));
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detector.MinCountTime(std::chrono::microseconds(0));
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detector.ReadOutTime(std::chrono::nanoseconds(0));
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if (pixel_um_)
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detector.PixelSize_um(static_cast<float>(*pixel_um_));
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dataset_->experiment.Detector(detector);
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dataset_->experiment.BeamX_pxl(0.5f * static_cast<float>(f0.width));
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dataset_->experiment.BeamY_pxl(0.5f * static_cast<float>(f0.height));
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if (photon_energy_eV_)
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dataset_->experiment.IncidentEnergy_keV(static_cast<float>(*photon_energy_eV_ / 1000.0));
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logger.Info("{} images in XTC ({}); {}; {}; one flat panel centred on the beam", frames_.size(),
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model.empty() ? "camera" : model,
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photon_energy_eV_ ? fmt::format("photon energy {:.1f} eV, the mean of {} beam records",
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*photon_energy_eV_, energies.size())
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: std::string("no beam records"),
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pixel_um_ ? fmt::format("{:.2f} um pixels ({}x{} binning)", *pixel_um_, binning, binning)
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: std::string("pixel size not stated"));
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dataset_->error_value = -1;
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dataset_->experiment.ImagesPerTrigger(static_cast<int64_t>(frames_.size()));
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dataset_->pixel_mask = std::make_shared<const PixelMask>(f0.width, f0.height);
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SetStartMessage(dataset_);
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}
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void JFJochXTCReader::ApplyGain(float adu_per_photon) {
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adu_per_photon_ = adu_per_photon;
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counts_in_photons_ = true;
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dataset_->experiment.Detector().SaturationLimit(static_cast<int64_t>(std::floor(65535.0f / adu_per_photon)));
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SetStartMessage(dataset_);
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}
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uint64_t JFJochXTCReader::GetNumberOfImages() const {
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return frames_.size();
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}
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void JFJochXTCReader::Close() {
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frames_.clear();
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dataset_.reset();
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photon_energy_eV_.reset();
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pixel_um_.reset();
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adu_per_photon_ = 1.0f;
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counts_in_photons_ = false;
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}
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template <class Buffer>
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CompressedImage JFJochXTCReader::DecodeInto(int64_t image_number, Buffer &buffer,
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std::vector<uint8_t> &scratch) const {
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if (image_number < 0 || static_cast<size_t>(image_number) >= frames_.size())
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid, "Image number out of range");
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const auto &f = frames_[image_number];
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const size_t npixel = static_cast<size_t>(f.width) * f.height;
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buffer.resize(npixel * sizeof(int32_t));
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scratch.resize(npixel * sizeof(uint16_t));
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xtc::ReadPixels(f, reinterpret_cast<uint16_t *>(scratch.data()));
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const auto in = reinterpret_cast<const uint16_t *>(scratch.data());
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auto out = reinterpret_cast<int32_t *>(buffer.data());
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const auto offset = static_cast<int32_t>(f.pixel_offset);
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for (size_t i = 0; i < npixel; i++)
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out[i] = static_cast<int32_t>(in[i]) - offset;
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if (adu_per_photon_ != 1.0f)
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for (size_t i = 0; i < npixel; i++)
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out[i] = static_cast<int32_t>(std::lround(static_cast<float>(out[i]) / adu_per_photon_));
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return CompressedImage(buffer.data(), buffer.size(), f.width, f.height,
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CompressedImageMode::Int32, CompressionAlgorithm::NO_COMPRESSION);
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}
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bool JFJochXTCReader::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) {
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(void) update_dataset;
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if (!dataset || image_number < 0 || static_cast<size_t>(image_number) >= frames_.size())
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return false;
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std::vector<uint8_t> scratch;
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message.image = DecodeInto(image_number, buffer, scratch);
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message.number = image_number;
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return true;
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}
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bool JFJochXTCReader::ReadRawImage(int64_t image_number, JFJochReaderRawImage &image) {
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if (image_number < 0 || static_cast<size_t>(image_number) >= frames_.size())
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return false;
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const auto &f = frames_[image_number];
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if (f.pixel_offset == 0 && adu_per_photon_ == 1.0f) {
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// The pixels as the file stores them, two bytes each, where there is nothing to take off or divide
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// by: the consumer widens them, on the device where there is one.
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image.image_buffer.resize(static_cast<size_t>(f.width) * f.height * sizeof(uint16_t));
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xtc::ReadPixels(f, reinterpret_cast<uint16_t *>(image.image_buffer.data()));
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image.image = CompressedImage(image.image_buffer.data(), image.image_buffer.size(), f.width, f.height,
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CompressedImageMode::Int32, CompressionAlgorithm::UINT16_WIDENED);
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return true;
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}
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image.image = DecodeInto(image_number, image.image_buffer, image.read_buffer);
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return true;
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}
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std::vector<SpotToSave> JFJochXTCReader::ReadSpots(int64_t) const {
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return {}; // raw XTC stores no analysis results
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}
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