Dear Yuan, I suppose you refer to a shelxl refinement? The Rfree is listed in the lst-file, too. Go to the bottom of that file and search backwards for the word "Free". Make sure you pick up the second value in that row, the one for all reflections, not just the strong one.
I do not think there is a listing "Rfree/resolution shell", for as much as I understand that won't make much sense generally: For Rfree to be meaningful you require at least 500 reflections and you probably do not have 500 reflections flagged for Rfree in the outer resolution shell. I hope that last sentence is not a misconception of mine. Tim On Sat, Feb 27, 2010 at 05:13:15AM +0000, Yuan SHANG wrote: > Hi,all, > I can get the R-value~resolution statistics from .lst file,but where is > the Rfree value? > > > Thanks in advance. > > Yuan -- -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
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