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I am getting a significant difference between the R-factors written
by phenix.refine and phenix.model_vs_data.<br>
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1. Phenix.refine <br>
phenix.refine "in.pdb" "Fobs.mtz"
"refinement.input.xray_data.labels=FP SIGFP"
"refinement.input.xray_data.high_resolution=2.50"
"fix_rotamers=True" "ordered_solvent=True"
"strategy=tls+individual_sites+individual_adp" <br>
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Final R-work = 0.1829, R-free = 0.2141<br>
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2. Phenix.model_vs_data<br>
phenix.model_vs_data out.pdb Fobs.mtz f_obs_label="FP"
r_free_flags_label="FreeR_flag" high_resolution=2.50
comprehensive=true<br>
<br>
r_work(re-computed) : 0.1808 <br>
r_free(re-computed) : 0.2099 <br>
<br>
How can I reproduce the phenix.refine R-factors in
phenix.model_vs_data?<br>
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<font color="#000099" face="Verdana" size="2"> Thanks, <br>
Abhinav </font>
<p><font color="#000099" face="Verdana" size="2"> </font> <font
color="#0099AA" face="Verdana" size="2"> JCSG@SSRL, SLAC <br>
(650) 926-2992 <br>
</font></p>
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