Re: [ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread Pavel Afonine
Isn't it simply FSC? Then according to Wikipedia the citation goes back even further, 1986 ! Pavel On Tue, Jan 27, 2015 at 2:06 PM, Randy Read wrote: > Hi, > > Bart Hazes' sftools program does map correlation in resolution shells in > this way, and may even have been doing it before 1996 if I'm

Re: [ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread Randy Read
Hi, Bart Hazes' sftools program does map correlation in resolution shells in this way, and may even have been doing it before 1996 if I'm remembering correctly. Randy On 27 Jan 2015, at 21:12, Alexandre OURJOUMTSEV wrote: > Dear Phil, > > Gerard Bricogne pointed out a long time ago that the

Re: [ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread Alexandre OURJOUMTSEV
Dear Phil, Gerard Bricogne pointed out a long time ago that the clearest comparison between two sets of phases is the complex correlation coefficient between two "best" structure factors ( m F exp(i phi) ) - this is equivalent to map correlation, but can be analysed in resolution bins. I'm not

Re: [ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread Phil Evans
On 27 Jan 2015, at 20:25, James Holton wrote: … snip > Now you can ask questions about the phase shift. The problem with phases is > that the phase of weak reflections doesn't really matter because they don't > contribute to the map. Also, poorly-measured phases get low FOM weights in > map

Re: [ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread James Holton
The papers you are looking for are: Crick FHC & Magdoff BS (1956)."The theory of the method of isomorphous replacement for protein crystals. I", Acta Crystallogr. 9, 901-908. http://dx.doi.org/10.1107/S0365110X56002552 Magdoff BS & Crick FHC (1955)."Ribonuclease II. Accuracy of measurement and

Re: [ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread Eleanor Dodson
Obviously it depends on degree of isomorphism - the Riso plot from SCALEPACK gives you a measure.. It would be hard to sort out phase change due to non-isomorphism v phase change from error - in measurements, substructure, etc But a practical guide - when doing phase extension from a SAD set of p

[ccp4bb] phase shift vs non-isomorphism

2015-01-27 Thread Frank von Delft
Hi all - anybody know the answer, or can tell me where to look: Regarding that oft-stated rule-of-thumb from the 60s (Blow? Crick?), that a 1% change in cell parameters causes a 3% change in intensities: is there an equivalent statement to be made about how phases change with increasing non-i