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Jungfraujoch/image_analysis/bragg_integration/BackgroundGain.cpp
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v1.0.0-rc.179 (#90)
* Rugnux: Stills processing needs only the unit cell and space group beyond what the file records - detector distance, beam centre, tilt, panel placement, saturation level, gain and polarisation plane are found from the images - and is up to twice as fast.
* Rugnux: Stills can be indexed without a GPU, with a CPU implementation of the fast-feedback indexer (macOS, computers without a GPU).
* Rugnux: Rotation and stills data are integrated in the detector's own units with one gain model, improving data from CCD detectors.
* Web frontend: The Rugnux live page shows the placed model with its electron density and anomalous difference map in a Mol* viewer.

Reviewed-on: #90
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-10-24 14:52:29 +02:00

167 lines
7.3 KiB
C++

// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include "BackgroundGain.h"
#include <algorithm>
#include <cmath>
#include <limits>
#include <numeric>
#include <utility>
namespace background_gain {
namespace {
constexpr int PAIR_DISTANCE = 2; // columns between the two pixels of a pair
constexpr size_t ROW_STEP = 4; // every fourth row: a quarter of a frame is ample for one number
constexpr double CLIP_NSIGMA = 4.0;
constexpr int CLIP_ROUNDS = 3;
const double LOG_BIN = std::log(1.25);
}
Levels MeasureFrame(const std::vector<int32_t> &image, size_t width, size_t height,
const std::vector<uint32_t> &mask, int64_t saturation) {
const auto usable = [&](size_t i) {
return mask[i] == 0 && image[i] >= 1 && image[i] < saturation;
};
// The level of every usable pair, worked out once; -1 where the pair is not usable.
std::vector<int8_t> bin(width * height, -1);
for (size_t y = 0; y < height; y += ROW_STEP)
for (size_t x = 0; x + PAIR_DISTANCE < width; x++) {
const size_t i = y * width + x;
if (!usable(i) || !usable(i + PAIR_DISTANCE))
continue;
const double m = 0.5 * (static_cast<double>(image[i]) + image[i + PAIR_DISTANCE]);
bin[i] = static_cast<int8_t>(std::min<int>(N_BINS - 1, static_cast<int>(std::log(m) / LOG_BIN)));
}
// Clip about zero at CLIP_NSIGMA of the level's own scatter, starting from no clip at all: a few
// rounds take the Bragg peaks and zingers out without needing any idea of the gain beforehand.
std::array<double, N_BINS> limit2;
limit2.fill(std::numeric_limits<double>::infinity());
Levels out;
for (int round = 0; round <= CLIP_ROUNDS; round++) {
out = Levels{};
for (size_t i = 0; i < bin.size(); i++) {
const int b = bin[i];
if (b < 0)
continue;
const double d = static_cast<double>(image[i]) - image[i + PAIR_DISTANCE];
if (d * d > limit2[b])
continue;
out.n[b]++;
out.sum_mean[b] += 0.5 * (static_cast<double>(image[i]) + image[i + PAIR_DISTANCE]);
out.sum_diff2[b] += d * d;
}
for (int b = 0; b < N_BINS; b++)
if (out.n[b] > 0)
limit2[b] = CLIP_NSIGMA * CLIP_NSIGMA * out.sum_diff2[b] / static_cast<double>(out.n[b]);
}
return out;
}
std::optional<float> Gain(const std::vector<Levels> &frames) {
// (variance/mean, pairs) per level
std::vector<std::pair<double, uint64_t>> ratio;
uint64_t total = 0;
for (int b = 0; b < N_BINS; b++) {
uint64_t n = 0;
double sum_mean = 0.0, sum_diff2 = 0.0;
for (const auto &f : frames) {
n += f.n[b];
sum_mean += f.sum_mean[b];
sum_diff2 += f.sum_diff2[b];
}
// var(a - b) = 2 var(pixel)
if (n >= MIN_PAIRS_PER_BIN && sum_mean > 0.0) {
ratio.emplace_back(0.5 * sum_diff2 / sum_mean, n);
total += n;
}
}
if (ratio.size() < MIN_BINS)
return std::nullopt;
// The median over PAIRS, not over levels: the background holds most of the pixels in a few levels,
// and the Bragg peaks spread a few pixels over many more - an unweighted median over the levels of
// a weak-background marCCD frame lands on the peaks and reads 5.7 where the background reads 0.3.
std::sort(ratio.begin(), ratio.end());
uint64_t cum = 0;
for (const auto &[r, n] : ratio) {
cum += n;
if (2 * cum >= total)
return static_cast<float>(r);
}
return static_cast<float>(ratio.back().first);
}
void AddToHistogram(const std::vector<int32_t> &image, const std::vector<uint32_t> &mask, int64_t saturation,
std::vector<uint64_t> &histogram) {
const int64_t end = std::min<int64_t>(saturation, PEAK_HISTOGRAM_BINS);
for (size_t i = 0; i < image.size(); i++)
if (mask[i] == 0 && image[i] >= 0 && image[i] < end)
histogram[image[i]]++;
}
std::optional<GainEstimate> PhotonPeak(const std::vector<uint64_t> &histogram) {
// A float file that holds whole numbers, read at a fraction of its unit, fills only every q-th bin:
// the histogram is read at that step.
size_t q = 0;
for (size_t i = 1; i < histogram.size(); i++)
if (histogram[i] > 0)
q = std::gcd(q, i);
q = std::max<size_t>(q, 1);
std::vector<uint64_t> h;
for (size_t i = 0; i < histogram.size(); i += q)
h.push_back(histogram[i]);
// A peak stands out of a valley where it is higher by five times its own counting noise.
const auto stands = [&](size_t valley, size_t peak) {
return static_cast<double>(h[peak]) - static_cast<double>(h[valley])
> 5.0 * std::sqrt(static_cast<double>(h[peak]));
};
// Most pixels hold no photon. Down the zero peak to the first valley.
const size_t p0 = std::max_element(h.begin(), h.end()) - h.begin();
size_t v0 = p0;
while (v0 + 1 < h.size() && h[v0 + 1] <= h[v0])
v0++;
if (v0 + 1 >= h.size())
return std::nullopt;
const size_t p1 = std::max_element(h.begin() + v0, h.end()) - h.begin();
const size_t g = p1 - p0;
// The zero-photon peak is the detector's noise, so it has a width: a single bin with nothing beside it is
// a CCD's pixels outside the active area, all at zero, and what follows is its background, not a photon.
if (h[p0 + 1] == 0 || !stands(v0, p1) || p1 + 3 * g / 2 >= h.size())
return std::nullopt;
// A photon is a peak narrower than the spacing: it falls below half its height before the midpoint to
// the next. A CCD's background is a hump as wide as where it lies.
if (2 * h[p1 + g / 2] >= h[p1])
return std::nullopt;
// The two-photon peak: the histogram rises again, near one more gain on, past the valley after p1.
const size_t v2 = std::min_element(h.begin() + p1, h.begin() + p1 + g + 1) - h.begin();
const size_t p2 = std::max_element(h.begin() + v2, h.begin() + p1 + 3 * g / 2 + 1) - h.begin();
if (!stands(v2, p2) || 4 * (p2 - p1) < 3 * g || 4 * (p2 - p1) > 5 * g)
return std::nullopt;
// Within the bin: the vertex of a parabola through the log counts of the peak and its neighbours. A
// zero peak in the first bin is a subtracted baseline, cut where the values turn negative: zero.
const auto vertex = [&](size_t p) {
if (p == 0)
return 0.0;
const double a = std::log(std::max<double>(1.0, h[p - 1]));
const double b = std::log(std::max<double>(1.0, h[p]));
const double c = std::log(std::max<double>(1.0, h[p + 1]));
const double curvature = a - 2.0 * b + c;
return static_cast<double>(p) + (curvature < 0.0 ? 0.5 * (a - c) / curvature : 0.0);
};
const double pedestal = vertex(p0);
return GainEstimate{static_cast<float>(q * (vertex(p1) - pedestal)), static_cast<float>(q * pedestal)};
}
std::optional<GainEstimate> Estimate(const std::vector<Levels> &frames, const std::vector<uint64_t> &histogram) {
if (const auto peaks = PhotonPeak(histogram))
return peaks;
if (const auto g = Gain(frames))
return GainEstimate{*g, 0.0f};
return std::nullopt;
}
} // namespace background_gain