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[ccp4bb] indexing multiple lattices |
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CCP4bb navigationCCP4bb <-- 2008 <-- February 2008 <-- 18 February 2008Subject: indexing multiple lattices From: Jason Greenwald jason {- dot -} greenwald {- at -} PHYS {- dot -} CHEM {- dot -} ETHZ {- dot -} CH Date: 2008-02-18 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 CCP4bb navigationCCP4bb <-- 2008 <-- February 2008 <-- 18 February 2008 |
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