Hi, And just an additional (trivial) remark to that of Tim (in case you missed that): make sure you have a -1 in the second place on the CGLS card like in:
CGLS 10 -1 Otherwise, as far as I know, Rfree won't get printed at all. Cheers, Boaz ----- Original Message ----- From: Tim Gruene <[email protected]> Date: Saturday, February 27, 2010 11:48 Subject: Re: [ccp4bb] Did anyone here know how to get the Rfree value of high resolution range To: [email protected] > 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 > > Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of the Negev Beer-Sheva 84105 Israel Phone: 972-8-647-2220 ; Fax: 646-1710 Skype: boaz.shaanan
