diff options
| author | Thomas White <taw@physics.org> | 2010-02-09 15:08:03 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2010-02-09 15:08:03 +0100 |
| commit | 89bd4cc23c5ac40dd0060d362f663819a5f4ae22 (patch) | |
| tree | cc5c5813f1d6acbbb1e8cfc728da02050e061404 /src/process_hkl.c | |
| parent | a122cc94e01bbfb34243d9db5268284a23aed116 (diff) | |
Add resolution to reflection lists
Diffstat (limited to 'src/process_hkl.c')
| -rw-r--r-- | src/process_hkl.c | 5 |
1 files changed, 2 insertions, 3 deletions
diff --git a/src/process_hkl.c b/src/process_hkl.c index 0d09ad3f..89d79a78 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -258,10 +258,9 @@ int main(int argc, char *argv[]) ref = new_list_intensity(); counts = new_list_count(); + mol = load_molecule(); if ( !config_noanalyse ) { - mol = load_molecule(); get_reflections_cached(mol, eV_to_J(2.0e3)); - trueref = ideal_intensities(mol->reflections); } @@ -328,7 +327,7 @@ int main(int argc, char *argv[]) } if ( output != NULL ) { - write_reflections(output, counts, ref, 0, NULL); + write_reflections(output, counts, ref, 0, mol->cell); } STATUS("There were %u patterns.\n", n_patterns); |