I have a crystal that grows with multiple lattices despite the fact
that the crystals look more or less like single crystals under the
microscope.
With a lot of guesswork I am able to index with mosflm by carefully
selecting spots that appear to be in the same lattice.
Now I would like to use the known cell and symmetry to index more
datasets that have the same "twinning" problem.
Is there any way to do a search of crystal orientation matrices
with a known cell to find the best fit to the diffraction pattern?
The data were collected on the Pilatus6M detector so I am limited to
mosflm and XDS for processing. Both packages always trying to index
the crystal without using the known cell and symmetry to get the
orientation matrix. I thought of writing a script to do a full search
(testing all orientations sequentially) in mosflm but I thought that
I should submit to the experts before I try anything.
cheers.
Jason
