diff options
| author | Alexandra Tolstikova <alexandra.tolstikova@desy.de> | 2015-02-11 17:11:21 +0100 |
|---|---|---|
| committer | Alexandra Tolstikova <alexandra.tolstikova@desy.de> | 2015-02-11 17:11:21 +0100 |
| commit | d6f855a933aa900f47be27649d42895393420761 (patch) | |
| tree | 029cc509cec4f34c84f7d1840d328daafac2ae38 /libcrystfel | |
| parent | 21b67e8dc422ee5f437bf2e31c5616982fc41c98 (diff) | |
Get cell volume range from tolerances
Diffstat (limited to 'libcrystfel')
| -rw-r--r-- | libcrystfel/src/asdf.c | 8 |
1 files changed, 5 insertions, 3 deletions
diff --git a/libcrystfel/src/asdf.c b/libcrystfel/src/asdf.c index 0b890ef8..1d3d2c89 100644 --- a/libcrystfel/src/asdf.c +++ b/libcrystfel/src/asdf.c @@ -1011,8 +1011,10 @@ int run_asdf(struct image *image, IndexingPrivate *ipriv) if ( dp->indm & INDEXING_CHECK_CELL_AXES ) { double volume = cell_get_volume(dp->template); - volume_min = volume * 0.95; - volume_max = volume * 1.05; + double vtol = (dp->ltl[0] + dp->ltl[1] + dp->ltl[2]) / 100 + + dp->ltl[3] / 180 * M_PI; + volume_min = volume * (1 - vtol); + volume_max = volume * (1 + vtol); } int N_reflections = image_feature_count(image->features); @@ -1060,7 +1062,7 @@ int run_asdf(struct image *image, IndexingPrivate *ipriv) return 1; } - cell_free(uc); + cell_free(uc); } return 0; |