[phenixbb] significant figures in reporting Rfree

Ed Pozharski epozh001 at umaryland.edu
Mon Jul 11 12:58:45 PDT 2011

On Mon, 2011-07-11 at 14:15 -0400, Jennifer Weinreich wrote:
> what is the common practice with respect to how many significant
> figures should be used for reporting Rfree

If you look up crystallographic papers, you'll find that people
routinely report R-values with 3 significant digits, i.e. 23.4% and
such.  The fourth digit is unreliable - try refining against the same
dataset with different test set and you'll find that the Rfree varies
within at least 0.1% (depending on resolution, data quality, etc).  Most
programs report 4 digits, which in my view is needed so that you can
properly round it. 

PDB lists three significant digits as well. 

"I'd jump in myself, if I weren't so good at whistling."
                               Julian, King of Lemurs

More information about the phenixbb mailing list