On Wednesday 28 February 2007 11:39, you wrote:
> Not sure what R-free error is either, I am trying to deposit a pdb and there
> is a blank to fill in "R-free error" located in the highest res refinement section.
> It filled in all the other values automatically from my mmfic except that one.
Huh. I don't know.
The only thing I can think of is the Cruickshank "Diffraction Precision Index" (DPI),
which is an empirical error estimate based on R, Rfree, resolution, etc.
See:
Cruickshank (1999) Acta Cryst. D55, 583-601
This is given in the refmac output as:
REMARK 3 ESU BASED ON FREE R VALUE (A): 0.059
However, this is not a per-shell value.
> On Wednesday 28 February 2007 11:08, John Bruning wrote:
> > When using Refmac how does one find/calculate R-free error in the highest resolution bin?
>
> R and Rfree by shell are in the data-harvesting output file
>
> What is "R-free error"?
>
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