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* Rugnux: Performance improvements on GPU and CPU (more of the pre-scan and of scaling on the GPU, faster CPU spot finding and crystal refinement), with unchanged results. * Rugnux: More robust processing - patches of persistently hot pixels are masked, an inconsistent merge triggers a retry at the measured beam centre, and builds targeting different CPU levels give the same results. * Rugnux: Improved scaling and merging - reflections with an overloaded pixel are dropped, as in XDS, sparse rotation sweeps are scaled more reliably, and French-Wilson amplitudes use an anisotropic Wilson prior. * Rugnux: Improved space-group determination - glide planes in groups without a centre of symmetry, screw axes from short or weak axial rows kept when a higher group is adopted, and more reliable decisions on twinned and pseudo-symmetric crystals. * Rugnux: Improved small-molecule processing - spots that grow wider than the integration disk and split spots are integrated over their measured footprint, sparse lattices are integrated on every frame, and the `.hkl` file holds unmerged scaled reflections (SHELX HKLF 4). * Rugnux: Reads Rigaku d*TREK SMV images (Saturn CCD), including detector 2theta and encoded pixel overflows; home-source (rotating-anode) datasets were added to the validation battery. * jfjoch_viewer: Fixed processing failing at the end with "Wrong JPEG library version" on Linux; the merge window shows the space group with proper subscripts and a checklist of crystal pathologies. Reviewed-on: #84 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
111 lines
6.6 KiB
C++
111 lines
6.6 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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#pragma once
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#include <vector>
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#include "ImageSpotFinderCPU.h"
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#include "SpotFindingSettings.h"
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#include "../../common/AzimuthalIntegrationMapping.h"
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#include "../../common/AzimuthalIntegrationProfile.h"
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// Self-calibrating strong-pixel detector for the offline (rugnux/viewer) path.
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//
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// The classic finder (ImageSpotFinderCPU) marks a pixel strong when it clears a *fixed* photon
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// count AND a local-box SNR. The fixed photon floor is what forces per-dataset tuning: it must sit
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// above the background (wants high) yet not bury weak spots (wants low), and the background level
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// differs per dataset, so the sweet spot is narrow (~12 photons on one serial-stills set, ~5 on a
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// weaker one).
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//
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// Here the floor is replaced by a per-resolution-ring threshold derived from a single portable
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// number: E = the expected count of noise pixels tolerated per frame (default ~100). For a ring
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// whose (peak-excluded) background mean is mu, the threshold is the smallest count whose Poisson
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// upper tail is <= p = E / N_pixels, max'd with a Gaussian arm mu + z*sigma to absorb read/flat-field
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// excess. Because it is set from the image's own noise, the SAME E lands at ~12 photons on the first
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// set and ~5 on the weaker one with no user input.
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//
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// The ring threshold replaces the floor and ONLY the floor: the classic finder's local-box SNR test
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// still has to pass, which is why this engine runs it (ImageSpotFinderCPU) and intersects the two
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// masks.
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//
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// A whole-ring threshold is an ABSOLUTE contour with no feedback from the pixel's own surroundings,
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// so the area a spot puts above it grows as sigma^2 * ln(peak/threshold) and never saturates: on a
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// strongly diffracting rotation set the detected footprint grows by 8 pixels per e-fold of peak, so
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// the brightest reflections came out as 100-500 pixel blobs. The local box has no such contour. The
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// spot inflates the box's own variance, and the peak divides out of the acceptance test, so the box
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// cuts every spot at roughly a fixed FRACTION of its own height - a peak-relative contour. Measured
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// on the same set, the footprint then grows by -0.2 pixels per e-fold, i.e. not at all, and lands on
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// the classic finder's own number to two decimals.
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//
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// The two arms bind in different regimes, which is the point of intersecting rather than choosing.
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// On serial stills the ring background is a fraction of a count and the ring threshold lands BELOW
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// the fixed floor the classic finder would use, so the ring arm decides and the local box passes
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// everything - which is the whole reason this engine exists. On a bright rotation set the ring
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// background is tens of counts, the ring threshold lands several times ABOVE that floor, and the
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// local box decides. The engine is therefore never worse than the classic finder on footprint, and
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// never worse than a fixed floor on a weak background.
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class AdaptiveSpotFinderCPU : public ImageSpotFinderCPU {
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const AzimuthalIntegrationMapping &mapping;
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// per-ring scratch, sized to the mapping's bin count
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// Exact integers: a preprocessed pixel is an int32 and the sentinels are skipped, so v and v*v
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// are exact in 64 bits. That is what lets the GPU engine reproduce these bit for bit - integer
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// addition is associative, so its block atomics can arrive in any order.
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std::vector<int64_t> ring_sum;
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std::vector<uint64_t> ring_sum2;
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std::vector<int64_t> ring_cnt;
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std::vector<float> ring_mean;
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std::vector<float> ring_sigma;
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std::vector<float> ring_thr; // nbins + 1: the last is +inf, the threshold of a pixel outside every ring
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// ring_mean of the last Detect(), NaN where the ring holds too few pixels to be its own background.
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// Kept separately because ring_mean carries the previous frame's value for an empty ring.
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std::vector<float> ring_bkg;
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// Pixels at or above their ring's threshold, packed like output_buffer. Intersected with the
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// local-box mask that ImageSpotFinderCPU::Detect leaves in output_buffer.
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std::vector<uint32_t> ring_bits;
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// The plain pass's valid pixels as a per-ring histogram of their values (HIST_VALUES bins per
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// ring) plus a list of the values outside it. The plain sums and the two sigma-clip passes are all
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// taken from it, over distinct values instead of over the image. Integer sums, so the same totals.
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static constexpr int32_t HIST_VALUES = 1024;
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std::vector<uint32_t> ring_hist;
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std::vector<std::pair<uint16_t, int32_t>> ring_overflow; // (ring, value)
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// The azimuthal-integration profile, taken in the plain ring pass when asked for: the
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// same pixels in the same order and the same arithmetic as AzIntEngineCPU, so the same sums, and
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// one pass over the image less (the CPU twin of the fused GPU engine).
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bool fuse_azint = false;
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std::vector<float> azint_sum;
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std::vector<float> azint_sum2;
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std::vector<uint32_t> azint_count;
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// Set by BeginRings(): the plain ring pass of the next Detect() is being accumulated block by block.
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bool rings_from_blocks = false;
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// Zero the sums of the plain ring pass (and of the fused profile).
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void ResetRings();
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// One sigma-clip pass over the plain pass's values; clip_k = INFINITY gives the plain sums.
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void ClipRings(float clip_k);
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// ring_mean / ring_sigma from the current sums.
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void UpdateRingStatistics();
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// Set the ring_bits of the pixels of one row from the thresholds of the current frame. ring_bits
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// is zeroed before the first row.
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void FlagRow(const ImagePreprocessorBuffer &image, int32_t row);
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public:
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explicit AdaptiveSpotFinderCPU(const AzimuthalIntegrationMapping &mapping);
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void Detect(const ImagePreprocessorBuffer &image, const SpotFindingSettings &settings) override;
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[[nodiscard]] const std::vector<float> &GetRingBackground() const override { return ring_bkg; }
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// The plain ring pass taken while the image is being preprocessed, so the pixels are read while
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// still in cache: BeginRings(), then AccumulateRingsBlock() over every block of the image in pixel
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// order - the order keeps the profile's float sums the same - and the next Detect() of that image
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// starts from these sums instead of passing over the image for them.
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void BeginRings();
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void AccumulateRingsBlock(const ImagePreprocessorBuffer &image, size_t first, size_t n);
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void FuseAzimuthalIntegration(bool enable) { fuse_azint = enable; }
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// The profile of the last Detect(), when fused.
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void GetProfile(AzimuthalIntegrationProfile &profile) const;
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};
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