In one of the structures I have refined, I found
phenix 1.5_2 gave 1 to 1.5% lower Rfree and Rwork than
REFMAC
5.5.0102.
Can I propose in a publication that "We attribute these differences
to methods for handling bulk solvent in PHENIX that are less
adversely affected
by deficiencies in the crystallographic data."?
This is a guess, because there is a
large contribution to refinement from bulk solvent, rather
than factual information. I did cross-refinement, and found it
going from structures refined in REfmac to Phenix, and vice
versa. The Phenix maps looked better, too.
Is this a
reasonable suggestion, and would there be a relevant reference?