/* * merge.h * * Parallel weighted merging of intensities * * Copyright © 2012-2021 Deutsches Elektronen-Synchrotron DESY, * a research centre of the Helmholtz Association. * * Authors: * 2010-2019 Thomas White * * This file is part of CrystFEL. * * CrystFEL is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 3 of the License, or * (at your option) any later version. * * CrystFEL is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with CrystFEL. If not, see . * */ #ifndef MERGE_H #define MERGE_H #ifdef HAVE_CONFIG_H #include #endif #include "crystal.h" #include "reflist.h" #include "geometry.h" /* Minimum partiality of a reflection for it to be merged */ #define MIN_PART_MERGE (0.3) extern RefList *merge_intensities(struct crystal_refls *crystals, int n, int n_threads, int min_meas, double push_res, int use_weak, int ln_merge); extern double correct_reflection_nopart(double val, Reflection *refl, double osf, double Bfac, double res); extern double correct_reflection(double val, Reflection *refl, double osf, double Bfac, double res); extern double residual(RefList *list, Crystal *cr, const RefList *full, int free, int *pn_used, const char *filename); extern double log_residual(RefList *list, Crystal *cr, const RefList *full, int free, int *pn_used, const char *filename); extern void write_unmerged(const char *fn, struct crystal_refls *crystals, int n_crystals); #endif /* MERGE */