[sharp-discuss] Tantalum Bromide phasing

[Francis E Reyes]

Use SPHCLUSTER in SHARP (I don't think it can yet be enabled in autoSHARP). 


Also, you'll have a lot more control in regular SHARP as to which sites to keep or toss. 

F



On Feb 27, 2012, at 8:39 AM, Lubman, Olga wrote:

> 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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Francis E. Reyes M.Sc.
215 UCB
University of Colorado at Boulder