Re: [Xplor-nih] Residue wise R-factors

2013-11-14 Thread Charles Schwieters
Hello Santhosh-- > > @Gabriel : The percent deviation seems like a good indicator for most of > the > RDC values except those very small RDC values. I am not sure if thats the > right metric over-all. In almost all the RDC's I am using, there seems to > be > 1-2 RDC's of thi

Re: [Xplor-nih] Residue wise R-factors

2013-11-14 Thread Gabriel Cornilescu
On 11/14/2013 10:36 AM, santhu kumar wrote: Hi Gabriel and Chales, Thanks for the response. @Gabriel : The percent deviation seems like a good indicator for most of the RDC values except those very small RDC values. I am not sure if thats the right metric over-all. In almost all the RDC's I a

Re: [Xplor-nih] Residue wise R-factors

2013-11-14 Thread santhu kumar
Hi Gabriel and Chales, Thanks for the response. @Gabriel : The percent deviation seems like a good indicator for most of the RDC values except those very small RDC values. I am not sure if thats the right metric over-all. In almost all the RDC's I am using, there seems to be 1-2 RDC's of this sma

Re: [Xplor-nih] Residue wise R-factors

2013-11-14 Thread Charles Schwieters
Hello Santhosh-- > > To find how good a refinement is, R-factors or Q-factor is used as a general > broad indicator.  > > R-factor defined as : sqrt{Sum[(Exp-obs)^2])/Sum[Exp^2]/2} > > This R-factor is a good indicator of the over-all data fit but is there any > such > indicator for residue w

Re: [Xplor-nih] Residue wise R-factors

2013-11-13 Thread Gabriel Cornilescu
The percent deviation carries some relevance because small RDCs (close to magic angle) don't influence much the fitted alignment tensor and they also have intrinsically larger experimental relative error. On 11/13/2013 8:18 PM, santhu kumar wrote: Hello Charles and others, To find how good a

[Xplor-nih] Residue wise R-factors

2013-11-13 Thread santhu kumar
Hello Charles and others, To find how good a refinement is, R-factors or Q-factor is used as a general broad indicator. R-factor defined as : sqrt{Sum[(Exp-obs)^2])/Sum[Exp^2]/2} This R-factor is a good indicator of the over-all data fit but is there any such indicator for residue wise improveme