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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>
91 lines
4.8 KiB
C++
91 lines
4.8 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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// What ShadowFinder::GetMask shares with its device twin (ShadowMaskGPU): the constants it tests
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// against, and the two small fits made over whole rings and sectors, which stay on the host on both
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// paths.
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#include <cstdint>
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#include <vector>
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namespace shadow_finder {
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// The values of ShadowFinder::SHADOW and ShadowFinder::TRANSMITTING, for the device code, which does
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// not include ShadowFinder.h.
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inline constexpr uint32_t MASK_SHADOW = 1;
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inline constexpr uint32_t MASK_TRANSMITTING = 2;
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// A pixel is shadow when its background is below this fraction of the background it is
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// compared against.
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inline constexpr float SHADOW_RATIO = 0.50f;
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// The boundary grows outward into partially shadowed pixels down to this fraction, but no
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// further than PENUMBRA_MAX_PX from the core. A pin or a loop casts a wide half-shadow, so the
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// reach is a good deal more than the beam stop's own edge needs.
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inline constexpr float PENUMBRA_RATIO = 0.75f;
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inline constexpr int PENUMBRA_MAX_PX = 30;
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// Bridge small breaks along the holder arm. A module gap wider than this is bridged separately for
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// the arm search (see bridge_gaps).
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inline constexpr int BRIDGE_PX = 6;
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// A pixel whose maximum reaches this recorded a real reflection and is never masked - a
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// beam stop cannot block a reflection that was measured.
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inline constexpr int64_t MIN_REFLECTION = 25;
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// How far below the background it is compared against a pixel must sit before the dip is
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// believed, in standard deviations of the counts that back it. The counts are photons, so their
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// scatter is Poisson and the deficit is measured against it rather than against a fixed number:
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// on a well-exposed sweep a third of the background missing is overwhelming, and on a handful of
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// low-background frames the same third is noise. Without this a six-frame pre-scan of a
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// low-background sweep masks three quarters of the detector.
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inline constexpr double MIN_DEFICIT_SIGMA = 6.0;
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// Smallest region the per-pixel test may return. A shadow is cast by something physical and is
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// correspondingly large; an isolated patch this small is the background wandering, not hardware.
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// This is what keeps the test specific now that a shadow no longer has to touch the direct beam.
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inline constexpr int MIN_SHADOW_PIXELS = 2000;
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// ... and of those, how many must be deep (below SHADOW_RATIO) for a region of merely DIM pixels -
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// hardware that lets part of the beam through - to count. A thin holder arm is dim along most of
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// its length and deep in places; the background drifting over a detector's edge is dim everywhere
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// and deep nowhere.
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inline constexpr int MIN_CORE_PIXELS = 200;
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// The arm search compares a pixel with its ring as the ring actually varies around the beam. A ring
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// of background is not flat once divided by the polarization factor when that factor is not the
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// beam's: the remainder is a second harmonic in azimuth, cos 2phi, which reaches tens of percent at
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// high angle. It is measured over radial bands of HARMONIC_BAND_PX, from the median of each of
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// HARMONIC_SECTORS sectors that holds at least MIN_SECTOR_PIXELS pixels.
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inline constexpr int HARMONIC_BAND_PX = 64;
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inline constexpr int HARMONIC_SECTORS = 24;
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inline constexpr int MIN_SECTOR_PIXELS = 200;
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// Side of the box the background is pooled over before testing. Its area is how many pixels back
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// a ring's countability test, which decides where an azimuthal comparison is possible at all.
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inline constexpr int POOL_PX = 5;
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inline constexpr double MEAN_POOLED_PIXELS = POOL_PX * POOL_PX;
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// A ring with fewer valid pixels than this says nothing about whether it was counted.
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inline constexpr int MIN_RING_PIXELS = 32;
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// A ring lies wholly inside the stop when its background is below this fraction of the background
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// further out. This asks about a whole ring rather than about a pixel, so it keeps a threshold of
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// its own and does not follow SHADOW_RATIO.
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inline constexpr float BLOCKED_RING_RATIO = 0.35f;
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// The rings that lie wholly inside the stop: walking outward, every judgeable ring (at least
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// MIN_RING_PIXELS pixels) before the first whose baseline reaches BLOCKED_RING_RATIO of the typical
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// background. -1 when there is none. See GetMask.
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int BlockedOutTo(const std::vector<float> &baseline, const std::vector<int> &ring_pixels);
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// The second harmonic in azimuth of each radial band, relative to its level, fitted to the medians of
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// its HARMONIC_SECTORS sectors (sector_median[band * HARMONIC_SECTORS + k], negative where the sector
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// has too few pixels). See GetMask.
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void HarmonicFit(const std::vector<double> §or_median, int n_bands,
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std::vector<float> &harm_c, std::vector<float> &harm_s);
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} // namespace shadow_finder
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