From 5c03e7be8ae7ae54dd9d22f9fd26815e8166f336 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Thu, 7 Dec 2017 16:30:58 +0100 Subject: Fix scaling factor in residual() --- src/post-refinement.c | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) (limited to 'src') diff --git a/src/post-refinement.c b/src/post-refinement.c index 8e2241f6..af701575 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -119,12 +119,11 @@ double residual(Crystal *cr, const RefList *full, int free, p = get_partiality(refl); //if ( p < 0.2 ) continue; - corr = (1.0/G) * exp(B*res*res) * get_lorentz(refl); + corr = G * exp(B*res*res) * get_lorentz(refl); int1 = get_intensity(refl) * corr; int2 = p*I_full; w = 1.0; - num += fabs(int1 - int2) * w; den += fabs(int1 + int2) * w/2.0; -- cgit v1.2.3