[phenixbb] significant figures in reporting Rfree
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
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