From faa55d4c60589587ec8760b52a3b864cf69ed4aa Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 25 Sep 2018 14:34:00 +0200 Subject: Add warning about monoclinic I cells when using Mosflm --- libcrystfel/src/mosflm.c | 9 +++++++++ 1 file changed, 9 insertions(+) (limited to 'libcrystfel') 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; -- cgit v1.2.3