Re: [ccp4bb] Rfree reflections

2013-03-26 Thread Pavel Afonine
Tim, r-free flags are used to calculate maximum-likelihood parameters (sigmaa, or alpha/beta - depending on parameterization), as well as m and D in 2mFo-DFc and mFo-DFc maps. For this they are supposed to be evenly distributed across resolution range, and the number of flags per thin enough resol

Re: [ccp4bb] Rfree reflections

2013-03-26 Thread Randy Read
--- Original message > From: Robbie Joosten > Date: > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Rfree reflections > > > Hi Tim, > > The derivation of sigma(Rw-free) is in this paper: Acta Cryst. (2000). D56, > 442-450. Tickle et al. > Note

Re: [ccp4bb] Rfree reflections

2013-03-26 Thread Ed. Pozharski
: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Rfree reflections Hi Tim, The derivation of sigma(Rw-free) is in this paper: Acta Cryst. (2000). D56, 442-450. Tickle et al. Note the difference between the sigma of weighted/generalized/Hamilton R-free and that of the 'regular' R-free (th

Re: [ccp4bb] Rfree reflections

2013-03-26 Thread Robbie Joosten
m: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > Tim Gruene > Sent: Tuesday, March 26, 2013 11:05 > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Rfree reflections > > Hi Robbie, > > thank you for the explanation. Heinz Gut and Michael Hadders po

Re: [ccp4bb] Rfree reflections

2013-03-26 Thread Tim Gruene
ons. > > HTH, > Robbie > > > -Original Message- > > From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > > Tim Gruene > > Sent: Tuesday, March 26, 2013 09:33 > > To: CCP4BB@JISCMAIL.AC.UK > > Subject: [ccp4bb] Rfree

Re: [ccp4bb] Rfree reflections

2013-03-26 Thread Robbie Joosten
al Message- > From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > Tim Gruene > Sent: Tuesday, March 26, 2013 09:33 > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] Rfree reflections > > Dear all, > > I recall that the set of Rfree reflections should b

[ccp4bb] Rfree reflections

2013-03-26 Thread Tim Gruene
Dear all, I recall that the set of Rfree reflections should be 500-1000, rather than 5-10%, but I cannot find the reference for it (maybe Ian Tickle?). I would therefore like to be confirmed or corrected: Is there an absolute number required for Rfree to be significant, i.e. 500-1000 irrespectiv