From 6d9bb7021a02efb881314bf8cbcb551e8eac4aaa Mon Sep 17 00:00:00 2001 From: Thomas White Date: Mon, 18 May 2015 15:38:41 +0200 Subject: partialator: Add cross-validation pobs/pcalc graph --- src/post-refinement.c | 3 +++ 1 file changed, 3 insertions(+) (limited to 'src/post-refinement.c') diff --git a/src/post-refinement.c b/src/post-refinement.c index a92403da..523016d0 100644 --- a/src/post-refinement.c +++ b/src/post-refinement.c @@ -390,6 +390,9 @@ static double pr_iterate(Crystal *cr, const RefList *full, Reflection *match; double gradients[num_params]; + /* If reflection is free-flagged, don't use it here */ + if ( get_flag(refl) ) continue; + /* Find the full version */ get_indices(refl, &ha, &ka, &la); match = find_refl(full, ha, ka, la); -- cgit v1.2.3