<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:arial,helvetica,sans-serif;font-size:12pt"><div>Thanks, I will send you the mtz file, paper is under progress , so will send you asap.<br><br>I like to know !<br><br>1. If I use mtz as default, which contains following labels, F, SIGF, IMEAN, ISIGMA, RFRee flags.<br>Why phenix picks up IMEAN instead of Fs. <br><br>The number of reflections used for refinements are different after IMEAN is converted to Fobs by phenix..<br><br>With IMEAN , the number of reflection is 8770<br>output from phenix .log Number of F-obs in resolution range:
9120<br> Number of F-obs <= 0: 377<br><br> <br>I used mtz after phenix run that convert Imean to Fobs, numberof reflections : 9121<br><br>same number of Rfree various by 15 reflections in both case.<br></div><div style="font-family: arial,helvetica,sans-serif; font-size: 12pt;"><br>I run both phenix with default<br> phenix.refine model.pdb
x.mtz<br><br>any suggestions.<br>thanks<br>ram<br><br><div style="font-family: arial,helvetica,sans-serif; font-size: 13px;"><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> Ralf W. Grosse-Kunstleve <rwgk@cci.lbl.gov><br><b><span style="font-weight: bold;">To:</span></b> phenixbb@phenix-online.org<br><b><span style="font-weight: bold;">Sent:</span></b> Fri, April 2, 2010 2:16:10 PM<br><b><span style="font-weight: bold;">Subject:</span></b> Re: [phenixbb] rfree set<br></font><br>
> I converted mtz to xplor file and did the refinement . Also trying to use mtz file as it self, phenix<br>> complaining about MDchecksum Rfree. <br>> I do have F, SIGF, I, IMEAN , Rfree-flags in the mtz file, converted to xplor format, phenix did not give me any<br>> warning about MDchecksum,<br><br>That's odd. I'd expect phenix.refine to work with either reflection<br>file and to pickup the correct value for the test set flag<br>automatically. If you send me the files (off-list) I'll take a look.<br><br>Ralf<br>_______________________________________________<br>phenixbb mailing list<br><a ymailto="mailto:phenixbb@phenix-online.org" href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a><br><span><a target="_blank" href="http://phenix-online.org/mailman/listinfo/phenixbb">http://phenix-online.org/mailman/listinfo/phenixbb</a></span><br></div></div>
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