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author | Thomas White <taw@physics.org> | 2018-09-25 14:34:00 +0200 |
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committer | Thomas White <taw@physics.org> | 2018-09-25 14:34:00 +0200 |
commit | faa55d4c60589587ec8760b52a3b864cf69ed4aa (patch) | |
tree | 6d8fe4014317d773b8b428ad07377679697573bc | |
parent | e20245aba0c532760a20af76c1316d2c39473dd5 (diff) |
Add warning about monoclinic I cells when using Mosflm
-rw-r--r-- | libcrystfel/src/mosflm.c | 9 |
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; |