[phenixbb] R factor

Pavel Afonine pafonine at lbl.gov
Tue Sep 7 17:16:47 PDT 2010

  Hi Hailiang,

> It is basically same
> as mine, so I think the reason for the R-factor discrepancy should be that
> I can't simply read in ksol/bsol/b_cart from model_vs_data output

The values may be slightly different since model_vs_data may remove some 
bad Fobs outliers, and the numerical precision for k_sol, B_sol and 
B_cart may not be good enough to reproduce the R-factor exactly.

Here is the example that illustrates this:


To run:

phenix.python run.py

> Then, do
> you think phenix cand o the similar thing as model_vs_data (hope can be
> somehow faster:), but generate Fc-containing mtz file?

This is exactly what I described in my previous email: use "--map" option.


More information about the phenixbb mailing list