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authorThomas White <taw@physics.org>2018-09-25 14:34:00 +0200
committerThomas White <taw@physics.org>2018-09-25 14:34:00 +0200
commitfaa55d4c60589587ec8760b52a3b864cf69ed4aa (patch)
tree6d8fe4014317d773b8b428ad07377679697573bc /libcrystfel
parente20245aba0c532760a20af76c1316d2c39473dd5 (diff)
Add warning about monoclinic I cells when using Mosflm
Diffstat (limited to 'libcrystfel')
-rw-r--r--libcrystfel/src/mosflm.c9
1 files changed, 9 insertions, 0 deletions
diff --git a/libcrystfel/src/mosflm.c b/libcrystfel/src/mosflm.c
index 658727b1..cc71dc65 100644
--- a/libcrystfel/src/mosflm.c
+++ b/libcrystfel/src/mosflm.c
@@ -846,6 +846,15 @@ void *mosflm_prepare(IndexingMethod *indm, UnitCell *cell)
*indm &= INDEXING_METHOD_MASK
| INDEXING_USE_LATTICE_TYPE | INDEXING_USE_CELL_PARAMETERS;
+ if ( (cell_get_centering(cell) == 'I')
+ && (cell_get_lattice_type(cell) == L_MONOCLINIC) )
+ {
+ ERROR("WARNING: Mosflm always gives the monoclinic C cell in "
+ "preference to the monoclinic I cell choice.\n");
+ ERROR("To get a higher indexing rate, convert your cell to the "
+ "monoclinic C cell choice.\n");
+ }
+
mp = malloc(sizeof(struct mosflm_private));
if ( mp == NULL ) return NULL;