From 25f94f2adde8292e0d58d880cd87a905b89c5527 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Fri, 2 Jul 2010 18:51:27 +0200 Subject: compare_hkl: Show Rmerge as well --- src/compare_hkl.c | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) (limited to 'src/compare_hkl.c') diff --git a/src/compare_hkl.c b/src/compare_hkl.c index b14a8dab..b2b40da1 100644 --- a/src/compare_hkl.c +++ b/src/compare_hkl.c @@ -50,7 +50,7 @@ int main(int argc, char *argv[]) char *afile = NULL; char *bfile = NULL; signed int h, k, l; - double scale, R; + double scale, R2, Rmerge; unsigned int *c1; unsigned int *c2; int i; @@ -141,8 +141,10 @@ int main(int argc, char *argv[]) ncom += c1[i] && c2[i]; } STATUS("%i,%i reflections: %i in common\n", nc1, nc2, ncom); - R = stat_r2(ref1, c1, ref2, c2, &scale); - STATUS("R2 = %5.4f %% (scale=%5.2f)\n", R*100.0, scale); + R2 = stat_r2(ref1, c1, ref2, c2, &scale); + STATUS("R2 = %5.4f %% (scale=%5.2f)\n", R2*100.0, scale); + Rmerge = stat_rmerge(ref1, c1, ref2, c2, &scale); + STATUS("Rmerge = %5.4f %% (scale=%5.2f)\n", Rmerge*100.0, scale); if ( outfile != NULL ) { write_reflections(outfile, NULL, out, NULL, 1, cell, 1); -- cgit v1.2.3