compare_hkl: Actually use --rmin/rmax

Previously, they were just used to filter out reflections outside the resolution range, and the bins would
be calculated from the resolution limits of whatever was left.  Now, the given values are used exactly
for calculating the bins.

1 files changed, 11 insertions, 0 deletions

diff --git a/src/compare_hkl.c b/src/compare_hkl.c
index e8ee0ac1..99ab77f2 100644
--- a/src/compare_hkl.c
+++ b/src/compare_hkl.c
@@ -820,6 +820,17 @@ int main(int argc, char *argv[])
 	reflist_free(list1);
 	reflist_free(list2);
 
+	if ( rmin_fix >= 0.0 ) {
+		rmin = rmin_fix;
+	}
+	if ( rmax_fix >= 0.0 ) {
+		rmax = rmax_fix;
+	}
+	if ( (rmin_fix>=0.0) || (rmax_fix>=0.0) ) {
+		STATUS("Fixed resolution range: %f to %f nm^-1"
+		       " (%.2f to %.2f Angstroms).\n",
+		       rmin/1e9, rmax/1e9, 1e10/rmin, 1e10/rmax);
+	}
 	do_fom(list1_acc, list2_acc, cell, rmin, rmax, fom, config_unity,
 	       nshells, shell_file);