From cc6ea7ee6804abd10d7739424f93c889db33fc3c Mon Sep 17 00:00:00 2001 From: Thomas White Date: Thu, 23 Jul 2015 14:38:36 +0200 Subject: Do PR with strong reflections only --- src/post-refinement.c | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/src/post-refinement.c b/src/post-refinement.c index 517ed6a5..83bb0d0e 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -552,6 +552,8 @@ static double pr_iterate(Crystal *cr, const RefList *full, esd = get_esd_intensity(refl); s = resolution(crystal_get_cell(cr), ha, ka, la); + if ( I_partial < 3.0*esd ) continue; + /* Calculate the weight for this reflection */ w = (s/1e9)*(s/1e9) / (esd*esd); @@ -723,6 +725,8 @@ static double residual(Crystal *cr, const RefList *full, int verbose, int free, esd = get_esd_intensity(refl); s = resolution(crystal_get_cell(cr), h, k, l); + if ( I_partial < 3.0*esd ) continue; + fx = exp(G)*p*exp(-B*s*s)*I_full/L; dc = I_partial - fx; w = (s/1e9)*(s/1e9)/(esd*esd); -- cgit v1.2.3