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
