Three defaults, each settled by measurement rather than by argument. The arbiter throughout is structure-referenced - anomalous peak height where a crystal can carry it, and otherwise the agreement of the ice bands with a fixed external model against resolution-matched DECOY bands carrying no ice. The band-versus-decoy contrast is used because R-free here tracks completeness, and every one of these switches moves completeness. The damage is real and it localizes: over the rotation battery the ice bands' excess amplitude reaches +9.6% on a smooth-ice crystal and +35% on the worst, while a clean control sits at +0.6% (z +0.45). On the worst crystal, nine of the ten largest excess peaks in a q scan land on hexagonal ring positions. Turning ice handling off leaves the contrast unchanged and forcing it on a clean crystal does not create one, so it is the ice and not the machinery. MERGE-TIME RING MASK -> OFF. It deletes reflections, which no other program does by default - AIMLESS, DIALS, xia2, XDS and CrystFEL all keep ice-band reflections in the merge and exclude them only from the model fit; autoPROC is the sole exception. On the one battery crystal where the mask fires and an anomalous arbiter can score it, dropping the band moved the mean peak height at the known sites by -0.001 +- 0.018 sigma, 2% of the site height, while removing 1149 unique reflections whose mean I/sigma was 3.62 against the dataset's own 3.05 - better than average data - and costing 17 completeness points in that shell. It fires on 5 of 37 crystals, changes no space group, and those 5 disagree in sign: it clearly helps the two most heavily iced, is a wash on two and costs a third. So it stays as a switch, worth setting by hand on a badly iced crystal where it shows in the high shell, but it is not a default. RADIAL BACKGROUND -> AUTO, gated per image. The correction models the background as a function of radius alone, and that is exactly when it works. On a crystal with pure smooth powder ice it removes 43% of the bands' excess amplitude, with the improvement 7x larger inside the bands than outside; on a crystal whose ice is discrete crystallite spots - no smooth ring to model - the excess amplitude GREW by half; on clean data it is inert to four decimals. The two ice channels already separate those morphologies, so --background-radial takes on|off|auto and auto applies it to an image when that image's peak-excluded score reaches --ice-min-score. Auto never engages without such a score, because the plain profile carries the Bragg peaks and cannot support an absolute threshold. Per image rather than per run, and that was tested rather than assumed: the gate fires on 100% and 94% of frames on the two crystals that want it, and on 1.5% of frames - 32 blocks, 23 of them single frames - on the textured-ice crystal. A seam statistic against off + f*(on - off) is null on both mixed runs, every merge statistic is bracketed by the pure arms, and the textured crystal's auto arm lands on `off` rather than on `on`'s harm. A run-level gate would need the score before the pass that integrates, i.e. rotation-only plumbing, and buys nothing measurable. The kernel was already built unconditionally, so flipping the flag per image is free - except on the GPU, where the launches were gated on a construction-time n_rad. That is why the buffers are now allocated whenever the correction could run, and Run() decides per image. DETECTION -> the geometry's default when the file is silent: on for rotation, off for stills, with the command line and then the file taking precedence. A rotation sweep sits on the same rings for the whole run, so ice there is a coherent systematic and the presence gate keeps it inert on a clean crystal; a serial stills run has too few spots per image to spend any on flagging. The master file's key is kept as written rather than collapsed to a bool, so "the file said nothing" is distinguishable from "the file said no" - it used to fall silently to off, taking the exclusion from the scale fit with it. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
346 lines
19 KiB
C++
346 lines
19 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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#include "MXAnalysisWithoutFPGA.h"
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#include <algorithm>
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#include <spdlog/spdlog.h>
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#include "spot_finding/StrongPixelSet.h"
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#include "../compression/JFJochDecompress.h"
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#include "spot_finding/SpotUtils.h"
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#include "bragg_prediction/BraggPredictionFactory.h"
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#include "image_preprocessing/ImagePreprocessorCPU.h"
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#include "azint/AzIntEngineCPU.h"
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#include "roi/ROIIntegrationCPU.h"
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#include "spot_finding/ImageSpotFinderCPU.h"
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#include "spot_finding/AdaptiveSpotFinderCPU.h"
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#include "bragg_integration/BraggIntegrationEngineCPU.h"
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#ifdef JFJOCH_USE_CUDA
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#include "azint/AzIntEngineGPU.h"
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#include "roi/ROIIntegrationGPU.h"
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#include "spot_finding/ImageSpotFinderGPU.h"
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#include "spot_finding/AdaptiveSpotFinderGPU.h"
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#include "image_preprocessing/ImagePreprocessorGPU.h"
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#include "image_preprocessing/ImagePreprocessorBufferGPU.h"
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#include "bragg_integration/BraggIntegrationEngineGPU.h"
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#include "../common/CUDAWrapper.h"
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#endif
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MXAnalysisWithoutFPGA::MXAnalysisWithoutFPGA(const DiffractionExperiment &in_experiment,
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const AzimuthalIntegrationMapping &in_integration,
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const PixelMask &in_mask,
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IndexAndRefine &in_indexer,
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bool in_enable_fused_adaptive_gpu)
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: experiment(in_experiment),
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integration(in_integration),
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enable_fused_adaptive_gpu(in_enable_fused_adaptive_gpu),
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npixels(experiment.GetPixelsNum()),
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xpixels(experiment.GetXPixelsNum()),
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indexer(in_indexer),
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prediction(CreateBraggPrediction(experiment.IsRotationIndexing())),
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mask(in_mask),
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mask_resolution(experiment.GetPixelsNum(), false),
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mask_high_res(-1),
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mask_low_res(-1) {
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#ifdef JFJOCH_USE_CUDA
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if (get_gpu_count() == 0) {
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#endif
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preprocessor_buffer = std::make_unique<ImagePreprocessorBuffer>(experiment.GetPixelsNum());
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spotFinder = std::make_unique<ImageSpotFinderCPU>(experiment.GetXPixelsNum(), experiment.GetYPixelsNum());
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azint = std::make_unique<AzIntEngineCPU>(integration);
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preprocessor = std::make_unique<ImagePreprocessorCPU>(in_experiment, in_mask);
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bragg_engine = std::make_unique<BraggIntegrationEngineCPU>(in_experiment);
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if (experiment.ROI().size() >= 1)
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roi = std::make_unique<ROIIntegrationCPU>(experiment);
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#ifdef JFJOCH_USE_CUDA
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} else {
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stream = std::make_shared<CudaStream>();
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preprocessor_buffer = std::make_unique<ImagePreprocessorBufferGPU>(experiment.GetPixelsNum());
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// The preprocessed image only has to come back to the host if a CPU engine reads it. Every
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// engine built below runs on the GPU, except the CPU adaptive finder that is kept when the fused
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// GPU engine is off - so that is the one case that needs the copy. Every caller currently passes
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// enable_fused_adaptive_gpu = true, so on the GPU path the copy is off in practice.
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preprocessor = std::make_unique<ImagePreprocessorGPU>(in_experiment, in_mask, stream,
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/*copy_image_to_host=*/!enable_fused_adaptive_gpu);
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spotFinder = std::make_unique<ImageSpotFinderGPU>(experiment.GetXPixelsNum(), experiment.GetYPixelsNum(), stream);
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azint = std::make_unique<AzIntEngineGPU>(integration, stream);
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bragg_engine = std::make_unique<BraggIntegrationEngineGPU>(in_experiment, stream);
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if (experiment.ROI().size() >= 1)
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roi = std::make_unique<ROIIntegrationGPU>(experiment, stream);
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if (enable_fused_adaptive_gpu) {
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// One GPU engine that computes the azimuthal profile and the adaptive spot mask in a single
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// image pass. fused_adaptive aliases it so Analyze() can lift the profile out of it.
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auto fused = std::make_unique<AdaptiveSpotFinderGPU>(integration, stream);
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fused_adaptive = fused.get();
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adaptiveSpotFinder = std::move(fused);
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}
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}
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#endif
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if (!adaptiveSpotFinder)
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adaptiveSpotFinder = std::make_unique<AdaptiveSpotFinderCPU>(integration);
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}
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void MXAnalysisWithoutFPGA::Analyze(DataMessage &output,
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AzimuthalIntegrationProfile &profile,
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const SpotFindingSettings &spot_finding_settings) {
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if ((output.image.GetWidth() != xpixels)
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|| (output.image.GetWidth() * output.image.GetHeight() != npixels))
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Mismatch in pixel size");
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// Decompress on the device where the preprocessor can, so only the compressed chunk crosses PCIe
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// and the host does no decompression at all. AnalyzeCompressed says whether it took the image;
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// when it declines (a CPU preprocessor, or an algorithm with no device decoder) fall through to
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// the host route unchanged. The two produce the same preprocessed image.
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const auto compression_start_time = std::chrono::steady_clock::now();
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ImageStatistics ret{};
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bool decoded_on_device = false;
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try {
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decoded_on_device = preprocessor->AnalyzeCompressed(*preprocessor_buffer, output.image, ret);
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} catch (const JFJochException &e) {
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// The device route must never be the reason a frame fails: whatever it could not handle, the
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// host decoder gets its turn. If the data really is bad the host throws too and the caller
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// sees the same error it saw before any of this existed - but a GPU-side problem costs speed
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// rather than the acquisition.
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spdlog::warn("Device decoding failed ({}), falling back to host decompression", e.what());
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decoded_on_device = false;
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}
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const auto compression_end_time = std::chrono::steady_clock::now();
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if (!decoded_on_device) {
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const uint8_t *image_ptr = Decompress(output.image);
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const auto decompressed_time = std::chrono::steady_clock::now();
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if (output.image.GetCompressionAlgorithm() != CompressionAlgorithm::NO_COMPRESSION)
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output.compression_time_s = std::chrono::duration<float>(decompressed_time - compression_start_time).count();
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const auto preprocessing_start_time = std::chrono::steady_clock::now();
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ret = preprocessor->Analyze(*preprocessor_buffer, image_ptr, output.image.GetMode());
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const auto preprocessing_end_time = std::chrono::steady_clock::now();
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output.preprocessing_time_s = std::chrono::duration<float>(preprocessing_end_time - preprocessing_start_time).count();
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} else {
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// Decode and preprocess are one device operation here, but the decompression is still a real,
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// separately measurable cost - the decoder brackets it with CUDA events - so it is still
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// reported as one. Leaving compression_time_s unset instead would blank the broker's
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// "compression" plot trace and fill /entry/profiling/compressionTime with NaN.
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const float total_s = std::chrono::duration<float>(compression_end_time - compression_start_time).count();
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const float decompress_s = std::min(preprocessor->GetLastDecompressionTime_s(), total_s);
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output.compression_time_s = decompress_s;
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output.preprocessing_time_s = total_s - decompress_s;
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}
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// The fused GPU engine (rugnux offline, GPU, adaptive detection) produces the azimuthal profile as
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// a byproduct of spot finding, so the separate azint pass is skipped in that case and the profile is
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// lifted out of the finder below.
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const bool fused = enable_fused_adaptive_gpu && spot_finding_settings.enable
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&& spot_finding_settings.adaptive_threshold && fused_adaptive != nullptr;
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if (!fused) {
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const auto azint_start_time = std::chrono::steady_clock::now();
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azint->Run(*preprocessor_buffer, profile);
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const auto azint_end_time = std::chrono::steady_clock::now();
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output.azint_time_s = std::chrono::duration<float>(azint_end_time - azint_start_time).count();
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}
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if (roi)
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roi->Run(*preprocessor_buffer, output.roi);
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if (spot_finding_settings.enable) {
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// Update resolution mask
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if (mask_high_res != spot_finding_settings.high_resolution_limit
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|| mask_low_res != spot_finding_settings.low_resolution_limit)
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UpdateMaskResolution(spot_finding_settings);
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ImageSpotFinder &finder = spot_finding_settings.adaptive_threshold
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? static_cast<ImageSpotFinder &>(*adaptiveSpotFinder)
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: *spotFinder;
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const auto integrate_fn = [this](const std::vector<Reflection> &predicted, size_t npredicted,
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int64_t image_number) {
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return bragg_engine->Run(*preprocessor_buffer, predicted, npredicted, image_number);
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};
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// The radial background correction has to be decided BEFORE this image is integrated, so the
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// ice score is taken here rather than with the other per-image quantities at the end of the
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// function. It needs the peak-excluded per-ring background, which the adaptive finder has as
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// soon as it has detected - so this must be called after detection and before integration.
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// Where no such background exists (no adaptive finder), auto leaves the correction off: the
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// plain profile carries the Bragg peaks and cannot support an absolute threshold.
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const auto decide_radial_background = [this, &spot_finding_settings, &output]() {
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if (!bragg_engine->IsBackgroundRadialAuto())
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return;
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// Same condition as the score at the end of this function: the adaptive finder holds its
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// ring background from whenever it last ran, so requiring that it ran for THIS image is
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// what keeps a stale curve out.
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if (!spot_finding_settings.adaptive_threshold)
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return;
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const std::vector<float> &ring_bkg = adaptiveSpotFinder->GetRingBackground();
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if (ring_bkg.empty())
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return;
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output.ice_ring_score = AzimuthalIntegrationProfile::IceRingScore(
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ring_bkg, integration.GetQBinCount(), integration.Settings(),
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spot_finding_settings.ice_ring_width_Q_recipA);
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bragg_engine->BackgroundRadial(*output.ice_ring_score
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>= experiment.GetScalingSettings().GetIceMinScore());
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};
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// A missing min-pix (std::nullopt) means "choose it per image". This applies only to the stills
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// indexing path (each frame is indexed independently); rotation indexing builds one lattice from
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// all frames, so it keeps the fixed min-pix and the single-pass finder.
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const bool adaptive_min_pix = !spot_finding_settings.min_pix_per_spot.has_value()
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&& spot_finding_settings.indexing
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&& !experiment.IsRotationIndexing();
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if (adaptive_min_pix) {
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// Choose the per-image min-pix adaptively instead of a fixed one. min-pix filters connected
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// components AFTER detection, so BOTH the detection (the expensive per-pixel pass) and the
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// connected-component search run ONCE and only the filter is repeated; the azimuthal
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// profile is the one Detect() computed.
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// Index at 3/2/1 (index-only, no integration/accumulation), keep whichever maximises
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// n_indexed^2 / n_total (indexed count weighted by indexed fraction) together with its spot
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// list, and integrate that one.
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const auto detect_start_time = std::chrono::steady_clock::now();
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finder.Detect(*preprocessor_buffer, spot_finding_settings);
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const auto &components = finder.ExtractComponents(*preprocessor_buffer, spot_finding_settings);
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float spot_finding_time_s =
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std::chrono::duration<float>(std::chrono::steady_clock::now() - detect_start_time).count();
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float indexing_time_s = 0.0f;
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SpotFindingSettings s = spot_finding_settings;
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std::vector<DiffractionSpot> best_spots;
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int best_mp = 0;
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double best_score = -1.0;
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for (int mp : {3, 2, 1}) {
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s.min_pix_per_spot = mp;
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const auto extract_start_time = std::chrono::steady_clock::now();
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std::vector<DiffractionSpot> spots = ImageSpotFinder::Filter(components, s);
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spot_finding_time_s +=
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std::chrono::duration<float>(std::chrono::steady_clock::now() - extract_start_time).count();
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SpotAnalyze(experiment, s, spots, output);
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const bool indexed = indexer.IndexFrameOnly(output, s);
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indexing_time_s += output.indexing_time_s.value_or(0.0f);
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if (indexed) {
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const double n_idx = static_cast<double>(output.spot_count_indexed.value_or(0));
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const double n_tot = static_cast<double>(std::max<int64_t>(1, output.spot_count.value_or(1)));
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const double score = n_idx * n_idx / n_tot;
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if (score > best_score) {
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best_score = score;
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best_mp = mp;
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best_spots = std::move(spots);
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}
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}
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}
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if (best_mp != 0) {
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// Index and integrate the winning spot list; no spot finding left to do.
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s.min_pix_per_spot = best_mp;
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SpotAnalyze(experiment, s, best_spots, output);
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decide_radial_background();
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indexer.ProcessImage(output, s, *prediction, integrate_fn);
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indexing_time_s += output.indexing_time_s.value_or(0.0f);
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}
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// Each indexer call reports only its own time, so the escalation's total is summed here.
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output.spot_finding_time_s = spot_finding_time_s;
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output.indexing_time_s = indexing_time_s;
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} else {
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const auto spot_finding_start_time = std::chrono::steady_clock::now();
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const std::vector<DiffractionSpot> spots = finder.Run(*preprocessor_buffer, spot_finding_settings);
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SpotAnalyze(experiment, spot_finding_settings, spots, output);
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output.spot_finding_time_s = std::chrono::duration<float>(std::chrono::steady_clock::now() - spot_finding_start_time).count();
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decide_radial_background();
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if (spot_finding_settings.indexing)
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indexer.ProcessImage(output, spot_finding_settings, *prediction, integrate_fn);
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}
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#ifdef JFJOCH_USE_CUDA
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if (fused) {
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// Lift the azimuthal profile the fused engine computed in the same detection pass; its azint
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// cost is folded into spot_finding_time_s above.
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profile.Clear(integration);
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profile += fused_adaptive->GetProfile();
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output.azint_time_s = 0.0f;
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}
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#endif
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}
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output.max_viable_pixel_value = ret.max_value;
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output.min_viable_pixel_value = ret.min_value;
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output.error_pixel_count = ret.error_pixel_count;
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output.saturated_pixel_count = ret.saturated_pixel_count;
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output.az_int_profile = profile.GetResult();
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output.az_int_profile_count = profile.GetPixelCount();
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output.az_int_profile_std = profile.GetStd();
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output.bkg_estimate = profile.GetBkgEstimate(integration.Settings());
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// The ice score wants a radial profile with the Bragg peaks taken OUT of it. The azimuthal profile
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// is a plain per-ring mean, so a strong low-resolution reflection landing in a ring's bin is
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// indistinguishable from ice sitting there - measured, that alone lifts clean crystals to a score
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// of 1.5-4.2, right into the range real ice occupies. The adaptive spot finder already computes
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// exactly what is wanted: a sigma-clipped per-ring background, in the same bins, from which the
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// peaks have been removed (an ice ring is azimuthally smooth, so it survives the clip). It is in
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// raw counts rather than corrected ones, which the score does not care about - it is a ratio to the
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// background interpolated under the ring, and the corrections are smooth in radius.
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const std::vector<float> &ring_bkg = adaptiveSpotFinder->GetRingBackground();
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const bool have_ring_bkg = spot_finding_settings.enable && spot_finding_settings.adaptive_threshold
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&& !ring_bkg.empty();
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output.ice_ring_score = AzimuthalIntegrationProfile::IceRingScore(
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have_ring_bkg ? ring_bkg : profile.GetResult1D(), integration.GetQBinCount(),
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integration.Settings(), spot_finding_settings.ice_ring_width_Q_recipA);
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}
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void MXAnalysisWithoutFPGA::RebuildROI() {
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if (experiment.ROI().empty()) {
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roi.reset();
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return;
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}
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#ifdef JFJOCH_USE_CUDA
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if (stream) {
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roi = std::make_unique<ROIIntegrationGPU>(experiment, stream);
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return;
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}
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#endif
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roi = std::make_unique<ROIIntegrationCPU>(experiment);
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}
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void MXAnalysisWithoutFPGA::AnalyzeROIOnly(DataMessage &output) {
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if ((output.image.GetWidth() != xpixels)
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|| (output.image.GetWidth() * output.image.GetHeight() != npixels))
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Mismatch in pixel size");
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const uint8_t *image_ptr = Decompress(output.image);
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preprocessor->Analyze(*preprocessor_buffer, image_ptr, output.image.GetMode());
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RunROIOnly(output);
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}
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const uint8_t *MXAnalysisWithoutFPGA::Decompress(const CompressedImage &image) {
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// An uncompressed image is read straight out of the message and never touches decompression_buffer,
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// so it stays in pageable memory - the buffer is only worth page-locking when it is actually used.
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if (image.GetCompressionAlgorithm() != CompressionAlgorithm::NO_COMPRESSION)
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preprocessor->PinInputBuffer(decompression_buffer, image.GetUncompressedSize());
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return image.GetUncompressedPtr(decompression_buffer);
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}
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void MXAnalysisWithoutFPGA::RunROIOnly(DataMessage &output) {
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output.roi.clear();
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if (roi)
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roi->Run(*preprocessor_buffer, output.roi);
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}
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void MXAnalysisWithoutFPGA::UpdateMaskResolution(const SpotFindingSettings &settings) {
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mask_low_res = settings.low_resolution_limit;
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mask_high_res = settings.high_resolution_limit;
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// No high-resolution limit requested -> mask nothing at the high-resolution end: no pixel has d < 0,
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// and the detector's own edge is where the pixels stop anyway.
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const float high_res = mask_high_res.value_or(0.0f);
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auto const &resolution_map = integration.Resolution();
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for (int i = 0; i < mask_resolution.size(); i++)
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mask_resolution[i] = (resolution_map[i] > mask_low_res) || (resolution_map[i] < high_res);
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// The finders keep their own copy (the GPU ones a bit-packed device copy), so the mask is handed
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// over here - when the limits change - rather than with every image.
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spotFinder->SetResolutionMask(mask_resolution);
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adaptiveSpotFinder->SetResolutionMask(mask_resolution);
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}
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