[phenixbb] significant figures in reporting Rfree
Edward A. Berry
BerryE at upstate.edu
Mon Jul 11 15:52:17 PDT 2011
It should probably have some relation to what you are going
to put in REMARK 3 of your pdb file when you deposit it:
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 1.700
REMARK 3 FREE R VALUE TEST SET COUNT : 4924
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.004
There was a previous thread on how to calculate this value,
I think maybe CNS PDB_DEPOSIT script gives it for you.
Jennifer Weinreich wrote:
> Hi. I am wondering what is the common practice with respect to how many
> significant figures should be used for reporting Rfree at different
> resolution? Should we always use all 4 figures that are reported by
> the program?
>
> Thank you,
>
> Jenn
>
>
>
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