Good morning Randy,
Setting aside the (always somewhat tricky) resolution limit choice, a useful
consideration is embodied in equations 1,2 and 3 of
https://scripts.iucr.org/cgi-bin/paper?bw0576 and the associated text ie
consider the theoretical maximum of the anomalous differences. Without an
I will look for examples but in practice I try to include rather than
exclude data. (In fact follow the shelxd/e protocol slavishly allowing its
automatic selection of data cutoff)
When choosing a resolution cut off I think it is important to appreciate
that the best test for correctness is the
Dear members of the BBs,
When determining the anomalous substructure as part of SAD phasing, one of the
most important parameters can be the choice of resolution limit for the data
provided to the substructure determination algorithm. Extending to too high
resolution can hamper the search by
