[sharp-discuss] phase combination MAD and MIR

Sabine Schneider paxss2 at nottingham.ac.uk
Tue Nov 1 19:42:42 GMT 2005


Hi everyone,

I have a Fe-MAD data set with weak phases and I want to combine it with a 
platinum derivative. 

How can I best combine these two in SHARP if I do not have the platinum 
sites (the fe site I have seems to be clear), so I can not specify the G-sites 
for PT in the SHARP input? From the difference patterson it seems that I have 
3 Pt sites. 
Is it for example a good idea to use the phases of the iron and set the G-sites
for the Pt to xyz all to 0.1, occ 1 and let SHARP refine these? Or how do I best 
tell SHARP to use the fe MAD phases to go "hunting" for the pt?

And what refinement flags are best set to start with?

Thanks a lot 

Sabine





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