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
79 lines
4.4 KiB
C++
79 lines
4.4 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 <array>
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#include <cstddef>
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#include <cstdint>
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#include <optional>
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#include <vector>
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// The background noise of a detector that reports ADU rather than counted photons. For a photon
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// counter a background pixel's variance equals its mean; a CCD's pixel value is a gain times the
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// photons plus read noise, so its variance is g*mean (+ a constant). The gain is not in the headers
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// (an SMV file states none, every marCCD file states the writer's default of 1 ADU/photon), so it is
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// measured: the variance per unit mean of the difference between two pixels two columns apart, which
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// share the background, but are far enough apart that the detector's point spread does not correlate
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// them. Bragg peaks and zingers are clipped per level. Taken per level (bins of the pair's mean, a
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// factor 1.25 wide) and summarised as the median ratio over all pairs, i.e. over the background that
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// holds most of the pixels.
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//
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// The variance/mean of pixels in a neighbourhood is how XDS fills its GAIN table (INIT step,
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// Kabsch (2010) Acta Cryst. D66, 125-132).
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namespace background_gain {
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constexpr int N_BINS = 64; // levels 1.25^0 .. 1.25^63, i.e. up to ~1.3e6 ADU
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constexpr size_t MIN_PAIRS_PER_BIN = 1000;
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constexpr size_t MIN_BINS = 3;
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// Frames of the pre-scan sample it is measured on, spread over the sample. The answer moves by under
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// 1 % between frames of a sweep, so more only cost time.
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constexpr size_t GAIN_MAX_FRAMES = 16;
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// Per level, over the pairs that survived the clip: the count, the sum of the pair means and the sum
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// of the squared differences.
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struct Levels {
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std::array<uint64_t, N_BINS> n{};
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std::array<double, N_BINS> sum_mean{};
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std::array<double, N_BINS> sum_diff2{};
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};
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// One frame. A pixel takes part if the mask is zero there and 1 <= value < saturation (a CCD reads
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// its bias in the dark, so a zero is a pixel outside the active area).
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Levels MeasureFrame(const std::vector<int32_t> &image, size_t width, size_t height,
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const std::vector<uint32_t> &mask, int64_t saturation);
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// The gain over frames: the pair-weighted median of the per-level variance/mean, or nothing with
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// fewer than MIN_BINS levels holding MIN_PAIRS_PER_BIN pairs.
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std::optional<float> Gain(const std::vector<Levels> &frames);
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// The gain of a detector whose background resolves single photons (a JUNGFRAU with its pedestal
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// subtracted): the histogram of pixel values has a peak at zero photons, one at a single photon and
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// another at two, a gain apart. The variance per unit mean above does not see it on a sparse background -
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// the empty pixels it leaves out are most of it - so the quantum is read off the histogram instead. The
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// gain is the spacing of the peaks, not the single photon's value, so a frame whose baseline was never
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// subtracted - its zero-photon peak well above zero - reads the same gain, and its baseline besides.
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constexpr size_t PEAK_HISTOGRAM_BINS = 16384;
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// Adds the frame's unmasked pixels with 0 <= value < min(saturation, PEAK_HISTOGRAM_BINS) to histogram
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// (PEAK_HISTOGRAM_BINS long, one bin per value).
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void AddToHistogram(const std::vector<int32_t> &image, const std::vector<uint32_t> &mask, int64_t saturation,
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std::vector<uint64_t> &histogram);
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struct GainEstimate {
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float gain; // detector units per photon (photon peaks: from the zero-photon to the single-photon peak)
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float pedestal; // where the zero-photon peak sits; 0 where the baseline was subtracted or no peak shows
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};
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// The zero-photon peak is the highest bin; the single-photon peak the highest past its descent, standing out
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// of the valley before it, falling to half its height before the midpoint to the next, and repeated by a
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// two-photon peak near one more gain on. Nothing where the histogram shows no such pair - integer photon
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// counts, whose single photon is the bin next to the zero peak, or a detector whose noise hides the photons.
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std::optional<GainEstimate> PhotonPeak(const std::vector<uint64_t> &histogram);
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// The gain of any input that reports detector units, rotation or stills, from the same frames: the photon
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// peaks where the histogram shows them, else the variance per unit mean of the levels.
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std::optional<GainEstimate> Estimate(const std::vector<Levels> &frames, const std::vector<uint64_t> &histogram);
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} // namespace background_gain
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