[phenixbb] model_vs_data
Nathaniel Echols
nechols at lbl.gov
Wed Jan 25 11:36:57 PST 2012
On Wed, Jan 25, 2012 at 12:44 PM, Karolina Michalska <dziuba at amu.edu.pl> wrote:
> Information extracted from PDB file header:
> program_name : REFMAC
> year : None
> r_work : 0.15793
> r_free : 0.19845
> high_resolution : 1.45
> low_resolution : 36.92
> sigma_cutoff : None
> matthews_coeff : None
> solvent_cont : None
> TLS : False (number of groups: 0)
> After applying resolution and sigma cutoffs:
> n_refl_cutoff : 26357
> r_work_cutoff : 0.1450
> r_free_cutoff : 0.1687
>
>
> Can someone, please, explain why there is such a big difference in R
> values? When I do refinement in phenix I get practically the same
> results that Refmac produces.
It could be twinning - the output should indicate this somewhere.
What are the re-calculated r_work/r_free values without applying
cutoffs?
-Nat
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