[sharp-discuss] Tantalum Bromide phasing

[Lubman, Olga]

I am trying to phase 3.8A data set with Ta Bromide. At that resolution Ta cluster behaves as a super atom and individual Ta sites cannot be resolved. Autosharp finds the sites but then rejects them due to high B factor. However, the high B factor is a result of an average position of Ta cluster as opposed to individual Ta atoms. Is there a way for me change SHELXC criteria for excepting sites with high B-factor?
Many thanks,
Olga


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