55 lines
1.5 KiB
C++
55 lines
1.5 KiB
C++
// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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// SPDX-FileCopyrightText: 2025 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 "FitProfileRadius.h"
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#include <algorithm> // std::nth_element
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#include <cmath> // std::fabs
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std::optional<float> FitProfileRadius_MAD(const std::vector<SpotToSave>& xs) {
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std::vector<float> absx;
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absx.reserve(xs.size());
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for (const auto &s: xs) {
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if (s.indexed)
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absx.push_back(std::fabs(s.dist_ewald_sphere));
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}
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if (absx.empty())
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return std::nullopt;
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std::nth_element(absx.begin(), absx.begin() + absx.size() / 2, absx.end());
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float med;
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if (absx.size() % 2 == 1) {
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med = absx[absx.size() / 2];
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} else {
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auto it1 = absx.begin() + (absx.size() / 2 - 1);
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auto it2 = absx.begin() + (absx.size() / 2);
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float a = *it1;
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float b = *it2;
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med = 0.5f * (a + b);
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}
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// Normal consistency factor for MAD
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return 1.4826f * med;
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}
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std::optional<float> FitProfileRadius(const std::vector<SpotToSave>& spots) {
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float sum_squares = 0.0f;
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int count = 0;
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for (const auto &s: spots) {
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if (s.indexed) {
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sum_squares += s.dist_ewald_sphere * s.dist_ewald_sphere;
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count++;
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}
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}
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if (count == 0)
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return std::nullopt;
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auto std_dev = std::sqrt(sum_squares / count);
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return std_dev;
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}
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