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* 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>
192 lines
9.0 KiB
C++
192 lines
9.0 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 "SpotFootprint.h"
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#include <algorithm>
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#include <cmath>
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#include <map>
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#include <tuple>
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namespace {
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// The window around a spot is BRAGG_FOOTPRINT_NSIGMA-like: three of its standard deviations, at least
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// a few pixels and at most this many, which is wider than any spot the integrator could hold.
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constexpr float WINDOW_NSIGMA = 3.0f;
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constexpr float WINDOW_MIN_PX = 3.0f;
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constexpr float WINDOW_MAX_PX = 24.0f;
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// The background is the median of an elliptical annulus between these multiples of the window.
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constexpr float BKG_INNER = 1.5f;
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constexpr float BKG_OUTER = 2.2f;
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constexpr int ITERATIONS = 8;
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inline bool valid(int32_t v) { return v != INT32_MIN && v != INT32_MAX; }
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float median_of(std::vector<float> &v) {
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const size_t m = v.size() / 2;
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std::nth_element(v.begin(), v.begin() + static_cast<std::ptrdiff_t>(m), v.end());
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return v[m];
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}
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} // namespace
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FootprintOutcome MeasureFootprintSpot(const FootprintTile &tile, const BraggPanel &pn, float beam_x, float beam_y,
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float x, float y, FootprintSpot &spot) {
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const int half = static_cast<int>(std::ceil(BKG_OUTER * WINDOW_MAX_PX)) + 1;
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std::vector<float> ring;
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// The distance from the beam on the plane, and the radial direction in the panel's pixel axes.
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const float rx = pn.plane_x - beam_x, ry = pn.plane_y - beam_y;
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const float r = std::sqrt(rx * rx + ry * ry);
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if (!(r > 1.0f)) return FootprintOutcome::LeftOut;
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const float ux = rx / r * pn.fx + ry / r * pn.fy, uy = rx / r * pn.sx + ry / r * pn.sy;
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const int ix = static_cast<int>(std::lround(x)), iy = static_cast<int>(std::lround(y));
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if (ix - half < pn.x0 || iy - half < pn.y0 || ix + half > pn.x1 || iy + half > pn.y1)
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return FootprintOutcome::LeftOut;
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// Start from a compact spot at the prediction; each round re-centres on the signal and takes
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// the window to three of the widths just measured.
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float cx = x, cy = y;
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float s2r = 1.0f, s2t = 1.0f;
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for (int it = 0; it < ITERATIONS; ++it) {
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const float wr = std::clamp(WINDOW_NSIGMA * std::sqrt(s2r), WINDOW_MIN_PX, WINDOW_MAX_PX);
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const float wt = std::clamp(WINDOW_NSIGMA * std::sqrt(s2t), WINDOW_MIN_PX, WINDOW_MAX_PX);
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const float reach = BKG_OUTER * std::max(wr, wt);
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const int x0 = static_cast<int>(std::floor(cx - reach)), x1 = static_cast<int>(std::ceil(cx + reach));
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const int y0 = static_cast<int>(std::floor(cy - reach)), y1 = static_cast<int>(std::ceil(cy + reach));
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if (x0 < pn.x0 || y0 < pn.y0 || x1 > pn.x1 || y1 > pn.y1) return FootprintOutcome::LeftOut;
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// The re-centring is not bounded, so the window can walk off a tile the frame still holds.
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if (x0 < tile.x0 || y0 < tile.y0 || x1 >= tile.x0 + tile.w || y1 >= tile.y0 + tile.h)
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return FootprintOutcome::OffTile;
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const auto pixel = [&](int px, int py) {
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return tile.pixels[static_cast<size_t>(py - tile.y0) * tile.w + (px - tile.x0)];
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};
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ring.clear();
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for (int py = y0; py <= y1; ++py)
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for (int px = x0; px <= x1; ++px) {
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const float dx = px - cx, dy = py - cy;
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const float rad = dx * ux + dy * uy, tn = -dx * uy + dy * ux;
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const float e = rad * rad / (wr * wr) + tn * tn / (wt * wt);
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const int32_t v = pixel(px, py);
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if (e >= BKG_INNER * BKG_INNER && e < BKG_OUTER * BKG_OUTER && valid(v))
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ring.push_back(static_cast<float>(v));
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}
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if (ring.size() < 10) return FootprintOutcome::LeftOut;
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const double bkg = median_of(ring);
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double w = 0.0, mr = 0.0, mt = 0.0, m2r = 0.0, m2t = 0.0;
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for (int py = y0; py <= y1; ++py)
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for (int px = x0; px <= x1; ++px) {
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const float dx = px - cx, dy = py - cy;
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const float rad = dx * ux + dy * uy, tn = -dx * uy + dy * ux;
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if (rad * rad / (wr * wr) + tn * tn / (wt * wt) >= 1.0f) continue;
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const int32_t v = pixel(px, py);
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if (!valid(v)) return FootprintOutcome::LeftOut;
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const double net = static_cast<double>(v) - bkg;
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w += net;
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mr += net * rad;
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mt += net * tn;
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m2r += net * rad * rad;
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m2t += net * tn * tn;
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}
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if (!(w > 0.0)) return FootprintOutcome::LeftOut;
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const double cr = mr / w, ct = mt / w;
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s2r = static_cast<float>(std::max(0.25, m2r / w - cr * cr));
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s2t = static_cast<float>(std::max(0.25, m2t / w - ct * ct));
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cx += static_cast<float>(cr * ux - ct * uy);
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cy += static_cast<float>(cr * uy + ct * ux);
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}
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spot = {r, std::sqrt(s2r), std::sqrt(s2t)};
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return FootprintOutcome::Measured;
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}
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void MeasureFootprintSpots(const int32_t *img, int width, int height, float beam_x, float beam_y,
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const std::vector<float> &x, const std::vector<float> &y,
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std::vector<FootprintSpot> &out) {
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const FootprintTile frame{img, 0, 0, width, height};
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for (size_t s = 0; s < x.size(); ++s) {
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FootprintSpot spot;
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const BraggPanel pn = {x[s], y[s], 1.0f, 0.0f, 0.0f, 1.0f, 0, 0, width - 1, height - 1};
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if (MeasureFootprintSpot(frame, pn, beam_x, beam_y, x[s], y[s], spot) == FootprintOutcome::Measured)
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out.push_back(spot);
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}
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}
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SpotFootprint FootprintFromSpots(const std::vector<FootprintSpot> &spots, float r_max) {
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SpotFootprint fp;
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if (!(r_max > 0.0f)) return fp;
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const float bin = r_max / FOOTPRINT_BINS;
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std::vector<std::vector<float>> rad(FOOTPRINT_BINS), tan(FOOTPRINT_BINS);
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for (const auto &s : spots) {
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const int b = std::clamp(static_cast<int>(s.r_px / bin), 0, FOOTPRINT_BINS - 1);
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rad[b].push_back(s.sigma_rad);
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tan[b].push_back(s.sigma_tan);
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}
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std::vector<int> filled;
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std::vector<float> mr(FOOTPRINT_BINS, 0.0f), mt(FOOTPRINT_BINS, 0.0f);
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for (int b = 0; b < FOOTPRINT_BINS; ++b)
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if (static_cast<int>(rad[b].size()) >= FOOTPRINT_MIN_SPOTS_PER_BIN) {
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mr[b] = median_of(rad[b]);
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mt[b] = median_of(tan[b]);
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filled.push_back(b);
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}
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if (filled.empty()) return fp;
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fp.bin_px = bin;
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for (int b = 0; b < FOOTPRINT_BINS; ++b) {
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// The nearest bin that has enough spots; the inner one on a tie.
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int best = filled.front();
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for (int f : filled)
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if (std::abs(f - b) < std::abs(best - b)) best = f;
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fp.sigma_rad.push_back(mr[best]);
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fp.sigma_tan.push_back(mt[best]);
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}
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return fp;
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}
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void MeasureFootprintOffsets(const std::vector<SpotToSave> &spots, const std::vector<Reflection> &reflections,
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float beam_x, float beam_y, std::vector<FootprintOffset> &out) {
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std::map<std::tuple<int, int, int>, const Reflection *> predicted;
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for (const auto &r : reflections)
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predicted[{r.h, r.k, r.l}] = &r;
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for (const auto &s : spots) {
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if (!s.indexed || s.lattice != 0) continue;
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const auto it = predicted.find({static_cast<int>(s.h), static_cast<int>(s.k), static_cast<int>(s.l)});
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if (it == predicted.end()) continue;
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const float px = it->second->predicted_x, py = it->second->predicted_y;
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const float rx = px - beam_x, ry = py - beam_y;
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const float r = std::sqrt(rx * rx + ry * ry);
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if (!(r > 1.0f)) continue;
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const float ux = rx / r, uy = ry / r;
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const float dx = s.x - px, dy = s.y - py;
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out.push_back({r, dx * ux + dy * uy, -dx * uy + dy * ux});
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}
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}
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SpotFootprint FootprintWithOffsets(const SpotFootprint &widths, std::vector<FootprintOffset> offsets) {
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if (widths.empty()) return widths;
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// Sorted, so the sums below do not depend on the order the frames were measured in.
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std::sort(offsets.begin(), offsets.end());
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const int n = static_cast<int>(widths.sigma_rad.size());
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std::vector<double> s2r(n, 0.0), s2t(n, 0.0);
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std::vector<int> cnt(n, 0);
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for (const auto &o : offsets) {
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const int b = std::clamp(static_cast<int>(o.r_px / widths.bin_px), 0, n - 1);
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s2r[b] += static_cast<double>(o.off_rad) * o.off_rad;
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s2t[b] += static_cast<double>(o.off_tan) * o.off_tan;
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++cnt[b];
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}
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std::vector<int> filled;
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for (int b = 0; b < n; ++b)
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if (cnt[b] >= FOOTPRINT_MIN_SPOTS_PER_BIN) filled.push_back(b);
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if (filled.empty()) return widths;
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SpotFootprint fp = widths;
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for (int b = 0; b < n; ++b) {
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int best = filled.front();
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for (int f : filled)
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if (std::abs(f - b) < std::abs(best - b)) best = f;
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fp.sigma_rad[b] = static_cast<float>(std::sqrt(widths.sigma_rad[b] * widths.sigma_rad[b] + s2r[best] / cnt[best]));
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fp.sigma_tan[b] = static_cast<float>(std::sqrt(widths.sigma_tan[b] * widths.sigma_tan[b] + s2t[best] / cnt[best]));
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}
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return fp;
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}
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