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* `rugnux --mode calibration` writes `<prefix>.json` beside the `.poni`, whose `dataset_settings` member is a `jfjoch_broker` `dataset_settings` body as it stands. * `rugnux` and `jfjoch_viewer` read PILATUS miniCBF sweeps natively, without conversion. * Masters written by other facilities open, including Eiger 1.x and third-party NXmx variants. * `rugnux` measures the beam centre on every run, and indexes with it when the file's value indexes nothing. * A detector swung out on a 2theta arm is placed where the file says it stands, and the calibration can hold the tilt fixed. * `rugnux` writes the unmerged MTZ by default, and a P1 merge beside it, so a wrong space group can be re-merged without reprocessing. * Significant improvements to symmetry handling in `rugnux`: the lattice, the point group, the setting and the systematic absences. * The `rugnux` report gives the resolution the CC1/2 fit reached, beside the range the reflections were written to. * The `rugnux` report gives the twinning statistics measured before the space group was decided, beside the ones measured after. * The `rugnux` report gives the strong-direction diffraction limit, and warns when CC1/2 is not monotone with resolution. * `rugnux` ranks screw axes on the evidence their absences carry, rather than on how many control reflections a candidate happens to have. * Twinning is no longer reported when the L-test contradicts it. * The `rugnux` report gives the detector tilt, the measured tilt and the direct beam beside the beam centre, and a post-refined beam centre is judged against the run's own measurement rather than the file's. * `--no-refine-tilt` holds the detector tilt at the value in the file, instead of zeroing it, when the calibration starts from the spots. * The `jfjoch_viewer` grid scan view draws the cells in the proportion of the scan steps, so the map has the shape of the scanned area. Reviewed-on: #76 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
112 lines
5.0 KiB
C++
112 lines
5.0 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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#include <catch2/catch_all.hpp>
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#include <cmath>
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#include "../image_analysis/spot_finding/AdaptiveThreshold.h"
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using namespace adaptive_threshold;
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namespace {
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// Poisson upper tail P(X >= k) for mean mu, summed directly - an independent reference for the
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// threshold's defining property.
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double PoissonUpperTail(double mu, int k) {
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if (k <= 0)
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return 1.0;
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double pmf = std::exp(-mu);
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double cdf = pmf;
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for (int i = 1; i < k; i++) {
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pmf *= mu / i;
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cdf += pmf;
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}
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return std::max(0.0, 1.0 - cdf);
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}
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}
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TEST_CASE("AdaptiveThreshold_NormalQuantile", "[SpotFinding]") {
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// Textbook values of the inverse standard-normal CDF.
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CHECK(NormalQuantile(0.5) == Catch::Approx(0.0).margin(1e-9));
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CHECK(NormalQuantile(0.975) == Catch::Approx(1.959964).margin(1e-5));
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CHECK(NormalQuantile(0.99) == Catch::Approx(2.326348).margin(1e-5));
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CHECK(NormalQuantile(1.0 - 1e-6) == Catch::Approx(4.753424).margin(1e-4));
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// Symmetric about 0.5, and monotonically increasing.
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for (const double p: {1e-8, 1e-4, 0.01, 0.2, 0.45})
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CHECK(NormalQuantile(1.0 - p) == Catch::Approx(-NormalQuantile(p)).margin(1e-6));
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CHECK(NormalQuantile(0.6) > NormalQuantile(0.55));
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CHECK(NormalQuantile(1e-3) < NormalQuantile(1e-2));
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// Degenerate arguments stay finite: the finders divide a tolerated-false-pixel count by the pixel
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// count, so p can legitimately arrive at the very edge of (0, 1).
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CHECK(std::isfinite(NormalQuantile(0.0)));
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CHECK(std::isfinite(NormalQuantile(1.0)));
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CHECK(NormalQuantile(0.0) < 0.0);
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CHECK(NormalQuantile(1.0) > 0.0);
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}
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TEST_CASE("AdaptiveThreshold_PoissonThreshold", "[SpotFinding]") {
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const double p = 1e-5;
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const float z = static_cast<float>(NormalQuantile(1.0 - p));
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// The defining property: the returned count is the SMALLEST whose upper tail is within p.
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for (const double mu: {1e-6, 0.1, 1.0, 3.0, 10.0, 40.0, 60.0, 120.0}) {
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const int thr = static_cast<int>(PoissonThreshold(mu, p, z));
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CHECK(PoissonUpperTail(mu, thr) <= p);
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CHECK(PoissonUpperTail(mu, thr - 1) > p);
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}
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// Non-decreasing in the background level.
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float prev = 0.0f;
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for (const double mu: {1e-6, 0.01, 0.1, 0.5, 1.0, 2.0, 5.0, 20.0, 45.0}) {
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const float thr = PoissonThreshold(mu, p, z);
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CHECK(thr >= prev);
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prev = thr;
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}
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// Above the summation limit the Cornish-Fisher form takes over, and it has to stay a POISSON
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// quantile: the skewness term (z^2-1)/6 is what a plain mu + z*sqrt(mu) leaves out, and at this
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// z the Gaussian form alone lets through several times the tail asked for.
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for (const double mu: {250.0, 400.0}) {
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const float thr = PoissonThreshold(mu, p, z);
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CHECK(thr > mu + z * std::sqrt(mu));
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CHECK(PoissonUpperTail(mu, static_cast<int>(thr)) <= 2 * p);
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CHECK(PoissonUpperTail(mu, static_cast<int>(mu + z * std::sqrt(mu))) > 2 * p);
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}
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// And it joins the exact quantile smoothly at the switch - no step for a ring whose background
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// drifts across it from frame to frame.
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CHECK(std::fabs(PoissonThreshold(200.5, p, z) - PoissonThreshold(199.5, p, z)) < 2.0f);
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// A tighter operating point (smaller p) can only raise the threshold.
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CHECK(PoissonThreshold(5.0, 1e-8, static_cast<float>(NormalQuantile(1.0 - 1e-8)))
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>= PoissonThreshold(5.0, 1e-2, static_cast<float>(NormalQuantile(1.0 - 1e-2))));
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}
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TEST_CASE("AdaptiveThreshold_RingThreshold", "[SpotFinding]") {
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const double p = 1e-5;
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const float z = static_cast<float>(NormalQuantile(1.0 - p));
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// Never below the read-noise-aware Gaussian arm, which is what keeps an empty ring's threshold
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// off zero - a per-ring sigma alone would collapse there and flood the frame with noise spots.
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for (const float mean: {0.0f, 0.5f, 5.0f, 50.0f}) {
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for (const float sigma: {0.0f, 1.0f, 7.0f}) {
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const float gauss = mean + z * std::sqrt(sigma * sigma + READ * READ);
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CHECK(RingThreshold(mean, sigma, p, z) >= Catch::Approx(gauss).epsilon(1e-6));
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}
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}
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CHECK(RingThreshold(0.0f, 0.0f, p, z) >= z * READ);
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// Non-decreasing in the background mean and in the background scatter.
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CHECK(RingThreshold(20.0f, 4.0f, p, z) > RingThreshold(2.0f, 4.0f, p, z));
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CHECK(RingThreshold(5.0f, 9.0f, p, z) > RingThreshold(5.0f, 1.0f, p, z));
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// Where the background is countable and quiet, Poisson significance is the binding arm: a ring
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// with mean 1 and no measured scatter must still demand several photons.
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CHECK(RingThreshold(1.0f, 0.0f, p, z) > 1.0f + z * READ);
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// A ring whose scatter is far above Poisson (flat-field / read excess) is set by the Gaussian arm.
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CHECK(RingThreshold(10.0f, 30.0f, p, z) == Catch::Approx(10.0f + z * std::sqrt(900.0f + READ * READ)).epsilon(1e-6));
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}
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