Re: [phenixbb] centered triclinic lattice
15 Dec
2022
15 Dec
'22
5:08 p.m.
Many thanks to all those who followed up with me both on and off the list. I notice now that 1LKS structure factors include hkl indices that violate reflection rules for A1 (general: k + l = 2n). The reflections in violation would have to be removed in order to reindex to the well-known primitive triclinic for lysozyme. Knowing this, reindexing is not a viable option, so the update will need to be P1 with ncs (either via explicit coordinates or matrix set).
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Cathy Lawson