Re: [phenixbb] Discrepancy between R-factors from phenix.refine vs phenix Generate "Table 1"

On Wed, May 29, 2013 at 4:13 PM, Sam Stampfer wrote:

I am preparing my structure for deposition and ran it through the Generate "Table 1" function in phenix. The inputs I gave it were my .mtz structure factors file, the final pdb coordinate file, and the log file from hkl2000. I did not provide unmerged data.

My pdb file (which had been refined using phenix.refine) had values of r_work=0.2342 r_free=0.2603 However, phenix.model_vs_data (from Generate "Table 1") gave me r_work=0.2940 r_free=0.3150

This is definitely not the intended behavior. Could you please send me the inputs off-list? thanks, Nat