[phenixbb] amazing good statistics

Francis E Reyes Francis.Reyes at colorado.edu
Tue Apr 3 10:10:56 PDT 2012

Your resolution is a whopping 8.8 in the highest resolution bin. I bet you can see those reflections a mile away. 

 The good news is that you can likely integrate to higher resolutions , the bad news is that your R/Rfree will likely go up. 


On Apr 3, 2012, at 10:59 AM, Christian Roth wrote:

> Dear Phenix people,
> is there a major improvement in the algorithm? I have refined a 2.2 Ang. room 
> temperature dataset with very good data statistics (I think)  
> Rmerge  3.7%(8.9%)   
> completeness  96%(92%)
> I/sigI  16,6(8,8)
> in parentheses are the values for the highest resolution shell. 
> After refinement I have a R/Rfree of 0.1294/0.1670.
> In some shells there are values close to 0.100 and in the lowest shell Rfree 
> is lower than Rwork. 
> The quality of the data are really quite good, what is probably one of the 
> reasons,  but I am close or below to the border of the Range of R values in 
> the pdb. Great for me, but I wanna be sure that it is really true.
> It was a MolRep with a close homolog, but I run a torsion angle sim annealing 
> to decouple R/Rfree and the MolRep was done with an poly-Ala model to prevent 
> too much model bias. 
> Best Regards 
> Christian
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