Commit 1d7ab964 authored by Thomas White's avatar Thomas White
Browse files

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.
parent 8c06fcfe
......@@ -820,6 +820,17 @@ int main(int argc, char *argv[])
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);
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment