From 734840568fd3cad8fc1a915f182247b75c7117fb Mon Sep 17 00:00:00 2001 From: Thomas White Date: Thu, 3 May 2018 15:04:58 +0200 Subject: Implement scale_one_crystal(.., SCALE_NO_B) --- src/scaling.c | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) (limited to 'src') diff --git a/src/scaling.c b/src/scaling.c index c708e7d3..94d885ea 100644 --- a/src/scaling.c +++ b/src/scaling.c @@ -39,6 +39,7 @@ #include #include #include +#include #include "merge.h" #include "post-refinement.h" @@ -304,7 +305,13 @@ int scale_one_crystal(Crystal *cr, const RefList *listR, int flags) return 1; } - r = gsl_fit_wlinear(x, 1, w, 1, y, 1, n, &G, &B, &cov00, &cov01, &cov11, &chisq); + if ( flags & SCALE_NO_B ) { + G = gsl_stats_wmean(w, 1, y, 1, n); + B = 0.0; + r = 0; + } else { + r = gsl_fit_wlinear(x, 1, w, 1, y, 1, n, &G, &B, &cov00, &cov01, &cov11, &chisq); + } if ( r ) { ERROR("Scaling failed.\n"); -- cgit v1.2.3