From 0bcfe3cdf917ae53764c423c7af865352af47920 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 7 Jul 2015 14:16:14 +0200 Subject: partialator: Increase maximum B factor to 1000 A^2, and normalise B factors --- src/rejection.c | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) (limited to 'src/rejection.c') diff --git a/src/rejection.c b/src/rejection.c index a565fec3..f0d6dd3e 100644 --- a/src/rejection.c +++ b/src/rejection.c @@ -175,7 +175,7 @@ void check_rejection(Crystal **crystals, int n, RefList *full) for ( i=0; i 1e-18 ) { + if ( fabs(crystal_get_Bfac(crystals[i])) > 1e-17 ) { crystal_set_user_flag(crystals[i], 1); } -- cgit v1.2.3