Here you can find a list of reasons for R-factor discrepancy and how much each of them affects the R-factor: http://phenix-online.org/papers/he5476_reprint.pdf
Pavel On Fri, Apr 4, 2014 at 8:18 AM, Nat Echols <nathaniel.ech...@gmail.com>wrote: > On Fri, Apr 4, 2014 at 1:57 AM, Tim Gruene <t...@shelx.uni-ac.gwdg.de>wrote: > >> A more up-to-date reason is that programs calculate R values very >> differently. If you take a PDB file refined with program X and put it >> into program Y you easily get discrepancies greater than 5%. >> > > This is actually pretty rare - usually it's only 1-2% at most. > Discrepancies like 16.5% versus 30.9% usually indicate that there's > something wrong or misleading in the annotation of the entry, and often > mean that you can't even reproduce the R-factor with the specified program. > > -Nat >
