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Jungfraujoch/image_analysis/MXAnalysisWithoutFPGA.cpp
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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

374 lines
20 KiB
C++

// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include "MXAnalysisWithoutFPGA.h"
#include <algorithm>
#include <spdlog/spdlog.h>
#include "spot_finding/StrongPixelSet.h"
#include "../compression/JFJochDecompress.h"
#include "spot_finding/SpotUtils.h"
#include "bragg_prediction/BraggPredictionFactory.h"
#include "image_preprocessing/ImagePreprocessorCPU.h"
#include "azint/AzIntEngineCPU.h"
#include "roi/ROIIntegrationCPU.h"
#include "spot_finding/ImageSpotFinderCPU.h"
#include "spot_finding/AdaptiveSpotFinderCPU.h"
#include "bragg_integration/BraggIntegrationEngineCPU.h"
#ifdef JFJOCH_USE_CUDA
#include "azint/AzIntEngineGPU.h"
#include "roi/ROIIntegrationGPU.h"
#include "spot_finding/ImageSpotFinderGPU.h"
#include "spot_finding/AdaptiveSpotFinderGPU.h"
#include "image_preprocessing/ImagePreprocessorGPU.h"
#include "image_preprocessing/ImagePreprocessorBufferGPU.h"
#include "bragg_integration/BraggIntegrationEngineGPU.h"
#include "../common/CUDAWrapper.h"
#endif
MXAnalysisWithoutFPGA::MXAnalysisWithoutFPGA(const DiffractionExperiment &in_experiment,
const AzimuthalIntegrationMapping &in_integration,
const PixelMask &in_mask,
IndexAndRefine &in_indexer,
bool in_enable_fused_adaptive_gpu)
: experiment(in_experiment),
integration(in_integration),
enable_fused_adaptive_gpu(in_enable_fused_adaptive_gpu),
npixels(experiment.GetPixelsNum()),
xpixels(experiment.GetXPixelsNum()),
indexer(in_indexer),
prediction(CreateBraggPrediction(experiment.IsRotationIndexing())),
mask(in_mask),
mask_high_res(-1),
mask_low_res(-1) {
#ifdef JFJOCH_USE_CUDA
if (get_gpu_count() == 0) {
#endif
preprocessor_buffer = std::make_unique<ImagePreprocessorBuffer>(experiment.GetPixelsNum());
preprocessor = std::make_unique<ImagePreprocessorCPU>(in_experiment, in_mask);
bragg_engine = std::make_unique<BraggIntegrationEngineCPU>(in_experiment);
if (experiment.ROI().size() >= 1)
roi = std::make_unique<ROIIntegrationCPU>(experiment);
#ifdef JFJOCH_USE_CUDA
} else {
stream = std::make_shared<CudaStream>();
// The host copy of the preprocessed image is only read when a CPU engine wants it, which is
// the same condition that drives copy_image_to_host below. Skipping it also skips page-locking
// 4 bytes per pixel per worker.
preprocessor_buffer = std::make_unique<ImagePreprocessorBufferGPU>(
experiment.GetPixelsNum(), /*host_mirror=*/!enable_fused_adaptive_gpu);
// The preprocessed image only has to come back to the host if a CPU engine reads it. Every
// engine built below runs on the GPU, except the CPU adaptive finder that is kept when the fused
// GPU engine is off - so that is the one case that needs the copy. Every caller currently passes
// enable_fused_adaptive_gpu = true, so on the GPU path the copy is off in practice.
preprocessor = std::make_unique<ImagePreprocessorGPU>(in_experiment, in_mask, stream,
/*copy_image_to_host=*/!enable_fused_adaptive_gpu);
bragg_engine = std::make_unique<BraggIntegrationEngineGPU>(in_experiment, stream);
if (experiment.ROI().size() >= 1)
roi = std::make_unique<ROIIntegrationGPU>(experiment, stream);
if (enable_fused_adaptive_gpu) {
// One GPU engine that computes the azimuthal profile and the adaptive spot mask in a single
// image pass. fused_adaptive aliases it so Analyze() can lift the profile out of it.
auto fused = std::make_unique<AdaptiveSpotFinderGPU>(integration, stream);
fused_adaptive = fused.get();
adaptiveSpotFinder = std::move(fused);
}
}
#endif
if (!adaptiveSpotFinder)
adaptiveSpotFinder = std::make_unique<AdaptiveSpotFinderCPU>(integration);
}
void MXAnalysisWithoutFPGA::Analyze(DataMessage &output,
AzimuthalIntegrationProfile &profile,
const SpotFindingSettings &spot_finding_settings) {
if ((output.image.GetWidth() != xpixels)
|| (output.image.GetWidth() * output.image.GetHeight() != npixels))
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Mismatch in pixel size");
// Decompress on the device where the preprocessor can, so only the compressed chunk crosses PCIe
// and the host does no decompression at all. AnalyzeCompressed says whether it took the image;
// when it declines (a CPU preprocessor, or an algorithm with no device decoder) fall through to
// the host route unchanged. The two produce the same preprocessed image.
const auto compression_start_time = std::chrono::steady_clock::now();
ImageStatistics ret{};
bool decoded_on_device = false;
try {
decoded_on_device = preprocessor->AnalyzeCompressed(*preprocessor_buffer, output.image, ret);
} catch (const JFJochException &e) {
// The device route must never be the reason a frame fails: whatever it could not handle, the
// host decoder gets its turn. If the data really is bad the host throws too and the caller
// sees the same error it saw before any of this existed - but a GPU-side problem costs speed
// rather than the acquisition.
spdlog::warn("Device decoding failed ({}), falling back to host decompression", e.what());
decoded_on_device = false;
}
const auto compression_end_time = std::chrono::steady_clock::now();
if (!decoded_on_device) {
const uint8_t *image_ptr = Decompress(output.image);
const auto decompressed_time = std::chrono::steady_clock::now();
if (output.image.GetCompressionAlgorithm() != CompressionAlgorithm::NO_COMPRESSION)
output.compression_time_s = std::chrono::duration<float>(decompressed_time - compression_start_time).count();
const auto preprocessing_start_time = std::chrono::steady_clock::now();
ret = preprocessor->Analyze(*preprocessor_buffer, image_ptr, output.image.GetMode());
const auto preprocessing_end_time = std::chrono::steady_clock::now();
output.preprocessing_time_s = std::chrono::duration<float>(preprocessing_end_time - preprocessing_start_time).count();
} else {
// Decode and preprocess are one device operation here, but the decompression is still a real,
// separately measurable cost - the decoder brackets it with CUDA events - so it is still
// reported as one. Leaving compression_time_s unset instead would blank the broker's
// "compression" plot trace and fill /entry/profiling/compressionTime with NaN.
const float total_s = std::chrono::duration<float>(compression_end_time - compression_start_time).count();
const float decompress_s = std::min(preprocessor->GetLastDecompressionTime_s(), total_s);
output.compression_time_s = decompress_s;
output.preprocessing_time_s = total_s - decompress_s;
}
// The fused GPU engine (rugnux offline, GPU, adaptive detection) produces the azimuthal profile as
// a byproduct of spot finding, so the separate azint pass is skipped in that case and the profile is
// lifted out of the finder below.
const bool fused = enable_fused_adaptive_gpu && spot_finding_settings.enable
&& spot_finding_settings.adaptive_threshold && fused_adaptive != nullptr;
if (!fused) {
const auto azint_start_time = std::chrono::steady_clock::now();
AzInt().Run(*preprocessor_buffer, profile);
const auto azint_end_time = std::chrono::steady_clock::now();
output.azint_time_s = std::chrono::duration<float>(azint_end_time - azint_start_time).count();
}
if (roi)
roi->Run(*preprocessor_buffer, output.roi);
if (spot_finding_settings.enable) {
// Update resolution mask
if (mask_high_res != spot_finding_settings.high_resolution_limit
|| mask_low_res != spot_finding_settings.low_resolution_limit)
UpdateMaskResolution(spot_finding_settings);
ImageSpotFinder &finder = spot_finding_settings.adaptive_threshold
? static_cast<ImageSpotFinder &>(*adaptiveSpotFinder)
: FixedThresholdFinder();
const auto integrate_fn = [this](const std::vector<Reflection> &predicted, size_t npredicted,
int64_t image_number) {
return bragg_engine->Run(*preprocessor_buffer, predicted, npredicted, image_number);
};
// The radial background correction has to be decided BEFORE this image is integrated, so the
// ice score is taken here rather than with the other per-image quantities at the end of the
// function. It needs the peak-excluded per-ring background, which the adaptive finder has as
// soon as it has detected - so this must be called after detection and before integration.
// Where no such background exists (no adaptive finder), auto leaves the correction off: the
// plain profile carries the Bragg peaks and cannot support an absolute threshold.
const auto decide_radial_background = [this, &spot_finding_settings, &output]() {
if (!bragg_engine->IsBackgroundRadialAuto())
return;
// Same condition as the score at the end of this function: the adaptive finder holds its
// ring background from whenever it last ran, so requiring that it ran for THIS image is
// what keeps a stale curve out.
if (!spot_finding_settings.adaptive_threshold)
return;
const std::vector<float> &ring_bkg = adaptiveSpotFinder->GetRingBackground();
if (ring_bkg.empty())
return;
output.ice_ring_score = AzimuthalIntegrationProfile::IceRingScore(
ring_bkg, integration.GetQBinCount(), integration.Settings(),
spot_finding_settings.ice_ring_width_Q_recipA);
bragg_engine->BackgroundRadial(*output.ice_ring_score
>= experiment.GetScalingSettings().GetIceMinScore());
};
// A missing min-pix (std::nullopt) means "choose it per image". This applies only to the stills
// indexing path (each frame is indexed independently); rotation indexing builds one lattice from
// all frames, so it keeps the fixed min-pix and the single-pass finder.
const bool adaptive_min_pix = !spot_finding_settings.min_pix_per_spot.has_value()
&& spot_finding_settings.indexing
&& !experiment.IsRotationIndexing();
if (adaptive_min_pix) {
// Choose the per-image min-pix adaptively instead of a fixed one. min-pix filters connected
// components AFTER detection, so BOTH the detection (the expensive per-pixel pass) and the
// connected-component search run ONCE and only the filter is repeated; the azimuthal
// profile is the one Detect() computed.
// Index at 3/2/1 (index-only, no integration/accumulation), keep whichever maximises
// n_indexed^2 / n_total (indexed count weighted by indexed fraction) together with its spot
// list, and integrate that one.
const auto detect_start_time = std::chrono::steady_clock::now();
finder.Detect(*preprocessor_buffer, spot_finding_settings);
const auto &components = finder.ExtractComponents(*preprocessor_buffer, spot_finding_settings);
float spot_finding_time_s =
std::chrono::duration<float>(std::chrono::steady_clock::now() - detect_start_time).count();
float indexing_time_s = 0.0f;
SpotFindingSettings s = spot_finding_settings;
std::vector<DiffractionSpot> best_spots;
int best_mp = 0;
double best_score = -1.0;
for (int mp : {3, 2, 1}) {
s.min_pix_per_spot = mp;
const auto extract_start_time = std::chrono::steady_clock::now();
std::vector<DiffractionSpot> spots = ImageSpotFinder::Filter(components, s);
spot_finding_time_s +=
std::chrono::duration<float>(std::chrono::steady_clock::now() - extract_start_time).count();
SpotAnalyze(experiment, s, spots, output);
const bool indexed = indexer.IndexFrameOnly(output, s);
indexing_time_s += output.indexing_time_s.value_or(0.0f);
if (indexed) {
const double n_idx = static_cast<double>(output.spot_count_indexed.value_or(0));
const double n_tot = static_cast<double>(std::max<int64_t>(1, output.spot_count.value_or(1)));
const double score = n_idx * n_idx / n_tot;
if (score > best_score) {
best_score = score;
best_mp = mp;
best_spots = std::move(spots);
}
}
}
if (best_mp != 0) {
// Index and integrate the winning spot list; no spot finding left to do.
s.min_pix_per_spot = best_mp;
SpotAnalyze(experiment, s, best_spots, output);
decide_radial_background();
indexer.ProcessImage(output, s, *prediction, integrate_fn);
indexing_time_s += output.indexing_time_s.value_or(0.0f);
}
// Each indexer call reports only its own time, so the escalation's total is summed here.
output.spot_finding_time_s = spot_finding_time_s;
output.indexing_time_s = indexing_time_s;
} else {
const auto spot_finding_start_time = std::chrono::steady_clock::now();
const std::vector<DiffractionSpot> spots = finder.Run(*preprocessor_buffer, spot_finding_settings);
SpotAnalyze(experiment, spot_finding_settings, spots, output);
output.spot_finding_time_s = std::chrono::duration<float>(std::chrono::steady_clock::now() - spot_finding_start_time).count();
decide_radial_background();
if (spot_finding_settings.indexing)
indexer.ProcessImage(output, spot_finding_settings, *prediction, integrate_fn);
}
#ifdef JFJOCH_USE_CUDA
if (fused) {
// Lift the azimuthal profile the fused engine computed in the same detection pass; its azint
// cost is folded into spot_finding_time_s above.
profile.Clear(integration);
profile += fused_adaptive->GetProfile();
output.azint_time_s = 0.0f;
}
#endif
}
output.max_viable_pixel_value = ret.max_value;
output.min_viable_pixel_value = ret.min_value;
output.error_pixel_count = ret.error_pixel_count;
output.saturated_pixel_count = ret.saturated_pixel_count;
output.az_int_profile = profile.GetResult();
output.az_int_profile_count = profile.GetPixelCount();
output.az_int_profile_std = profile.GetStd();
output.bkg_estimate = profile.GetBkgEstimate(integration.Settings());
// The ice score wants a radial profile with the Bragg peaks taken OUT of it. The azimuthal profile
// is a plain per-ring mean, so a strong low-resolution reflection landing in a ring's bin is
// indistinguishable from ice sitting there - measured, that alone lifts clean crystals to a score
// of 1.5-4.2, right into the range real ice occupies. The adaptive spot finder already computes
// exactly what is wanted: a sigma-clipped per-ring background, in the same bins, from which the
// peaks have been removed (an ice ring is azimuthally smooth, so it survives the clip). It is in
// raw counts rather than corrected ones, which the score does not care about - it is a ratio to the
// background interpolated under the ring, and the corrections are smooth in radius.
const std::vector<float> &ring_bkg = adaptiveSpotFinder->GetRingBackground();
const bool have_ring_bkg = spot_finding_settings.enable && spot_finding_settings.adaptive_threshold
&& !ring_bkg.empty();
output.ice_ring_score = AzimuthalIntegrationProfile::IceRingScore(
have_ring_bkg ? ring_bkg : profile.GetResult1D(), integration.GetQBinCount(),
integration.Settings(), spot_finding_settings.ice_ring_width_Q_recipA);
}
ImageSpotFinder &MXAnalysisWithoutFPGA::FixedThresholdFinder() {
if (!spotFinder) {
#ifdef JFJOCH_USE_CUDA
if (stream)
spotFinder = std::make_unique<ImageSpotFinderGPU>(experiment.GetXPixelsNum(),
experiment.GetYPixelsNum(), stream);
else
#endif
spotFinder = std::make_unique<ImageSpotFinderCPU>(experiment.GetXPixelsNum(),
experiment.GetYPixelsNum());
// It missed every mask update that happened before it existed, so it takes the current one
// now. Without this it would find spots outside the resolution limits.
if (mask_resolution)
spotFinder->SetResolutionMaskBits(*mask_resolution);
}
return *spotFinder;
}
AzIntEngine &MXAnalysisWithoutFPGA::AzInt() {
if (!azint) {
#ifdef JFJOCH_USE_CUDA
if (stream)
azint = std::make_unique<AzIntEngineGPU>(integration, stream);
else
#endif
azint = std::make_unique<AzIntEngineCPU>(integration);
}
return *azint;
}
void MXAnalysisWithoutFPGA::RebuildROI() {
if (experiment.ROI().empty()) {
roi.reset();
return;
}
#ifdef JFJOCH_USE_CUDA
if (stream) {
roi = std::make_unique<ROIIntegrationGPU>(experiment, stream);
return;
}
#endif
roi = std::make_unique<ROIIntegrationCPU>(experiment);
}
void MXAnalysisWithoutFPGA::AnalyzeROIOnly(DataMessage &output) {
if ((output.image.GetWidth() != xpixels)
|| (output.image.GetWidth() * output.image.GetHeight() != npixels))
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"Mismatch in pixel size");
const uint8_t *image_ptr = Decompress(output.image);
preprocessor->Analyze(*preprocessor_buffer, image_ptr, output.image.GetMode());
RunROIOnly(output);
}
const uint8_t *MXAnalysisWithoutFPGA::Decompress(const CompressedImage &image) {
// An uncompressed image is read straight out of the message and never touches decompression_buffer,
// so it stays in pageable memory - the buffer is only worth page-locking when it is actually used.
if (image.GetCompressionAlgorithm() != CompressionAlgorithm::NO_COMPRESSION)
preprocessor->PinInputBuffer(decompression_buffer, image.GetUncompressedSize());
return image.GetUncompressedPtr(decompression_buffer);
}
void MXAnalysisWithoutFPGA::RunROIOnly(DataMessage &output) {
output.roi.clear();
if (roi)
roi->Run(*preprocessor_buffer, output.roi);
}
void MXAnalysisWithoutFPGA::UpdateMaskResolution(const SpotFindingSettings &settings) {
mask_low_res = settings.low_resolution_limit;
mask_high_res = settings.high_resolution_limit;
// The mask is a pure function of the resolution map and the two limits, so the mapping builds it -
// once for all the workers, which otherwise each walked every pixel of the detector to arrive at
// the same bits.
mask_resolution = integration.ResolutionMaskBits(mask_high_res, mask_low_res);
// The finders keep their own copy (the GPU ones a bit-packed device copy), so the mask is handed
// over here - when the limits change - rather than with every image.
if (spotFinder)
spotFinder->SetResolutionMaskBits(*mask_resolution);
adaptiveSpotFinder->SetResolutionMaskBits(*mask_resolution);
}