Hi Phenix users,
I was trying to experiment with phenix.refine using default parameters (2Y78.pdb) and I got the following message.
Multiple equally suitable arrays of observed X-ray data found.
Possible choices:
2Y78.mtz:IOBS,SIGIOBS
2Y78.mtz:I(+),SIGI(+),I(-),SIGI(-)
Please use refinement.input.xray_data.labels
to specify an unambiguous substring of the target label.
Anyway, two questions related to this:
1) How does one pick of the two options above?
2) If R work/R free went from 0.1044/0.1142 to 0.1096/0.1200 is that bad or is it acceptable?
All other parameters seem fine between starting (downloaded) and refined structure.
Thank you