// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only

#pragma once

#include <limits>
#include <vector>

#include "../../common/JFJochMessages.h"
#include "../../common/Reflection.h"

void CalcISigma(DataMessage &msg);
void CalcWilsonBFactor(DataMessage &msg, bool replace_b = true);

void CalcISigma(DataMessage &msg, const std::vector<Reflection> &reflections);
void CalcWilsonBFactor(DataMessage &msg, const std::vector<Reflection> &reflections, bool replace_b = true);

// Dataset-wide isotropic Wilson B-factor estimate from a log-linear fit of the shell-averaged merged
// intensity against 1/d^2 (B = -2*slope). Robust because it averages over the whole dataset - the
// per-image CalcWilsonBFactor above is a per-frame estimate and much noisier. Diagnostic only (like
// XDS's "WILSON LINE ... B="), not used in scaling. Returns b = NaN when it cannot be determined.
struct GlobalWilsonB {
    double b = std::numeric_limits<double>::quiet_NaN();   // Wilson B-factor estimate (A^2)
    double correlation = std::numeric_limits<double>::quiet_NaN();  // |correlation| of the log-linear fit
    int n_shells = 0;                                      // resolution shells actually used
};
GlobalWilsonB CalcGlobalWilsonB(const std::vector<MergedReflection> &merged);