[phenixbb] A couple of questions regarding twinning

Pavel Afonine PAfonine at lbl.gov
Thu Jun 3 09:17:47 PDT 2010


Hi Owen,

> On a related note, how is the R factor calculated with twinned 
> structures (i.e., how is Fcalc determined for the purposes of R factor 
> calculation)?  

here are the formulas that are used in phenix.refine, 
phenix.model_vs_data and other related tools for the R-factor and total 
model structure factor Fmodel:

http://cci.lbl.gov/~afonine/FandR/Fmodel_and_Rfactor.pdf

Pavel.




More information about the phenixbb mailing list