[phenixbb] completeness using Intensities vs. structure factor

Pavel Afonine pafonine at lbl.gov
Tue Dec 4 15:15:01 PST 2012


> I recently refined a structure using experimental Intensities and compared
> it to the same structure refined with calculated structure factors.
> I know if you provide intensities Phenix.refine will convert to structure
> factors. I am not sure if it runs truncate or what.

It uses French & Wilson method to convert Iobs to Fobs, which is 
implemented in Phenix based on original publication.

> Anyway, I get this in
> the log file which matches my completeness in the scala log file:
> Completeness in resolution range: 0.992202
> Completeness with d_max=infinity: 0.992164
> When I run using structure factors (Truncate run in Scala) I get the
> following:
> Completeness in resolution range: 0.901282
> Completeness with d_max=infinity: 0.901259

If it was the other way around I could speculate about the reason.. 
Otherwise I need to see the data file. Could you send it to me off list?


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