Dear Randy,
thanks for your comment - a good point with the likelihood target
estimated from E-values! So, in principle, there shouldn't be any
difference in maximum-likelihood refinement using sharpened data or not.
However, for curiosity, in one case at 4.3 A resolution and a sharpening
B-f
Hi,
I'm on Garib's side here. The way the maximum likelihood targets work, the
variances are defined relative to the average intensity in a resolution shell,
so if you change the falloff the variances will change in the same way. In
fact, one way to implement maximum likelihood refinement is
Dear CCP4ers,
I really would sharpen the structure factors, not only the electron
density maps. The simple reason is: if sharpening emphasizes enough
information at higher resolution to help interpreting the electron
density maps, refinement will also benefit from this information.
Of course,
I would not sharpen structure factors before refinement. It may cause problems
with B value refinement (a lot of B values may stuck around 2 or minimum B).
One must remember that not all atoms in crystal have same Bvalue. There is a
distribution of Bvalues.
However maps can be sharpened after r
At 05:39 PM 2/25/2011, Pete Meyer wrote:
Or could anyone suggest a program that would be of help?
CAD scaling with a scale factor of 1.0 and negative B-factor (isotropic or
anisotropic) should do the trick. I haven't had much luck with density
sharpening (at least at ~4-5 Angstroms), but oth
Or could anyone suggest a program that would be of help?
CAD scaling with a scale factor of 1.0 and negative B-factor (isotropic
or anisotropic) should do the trick. I haven't had much luck with
density sharpening (at least at ~4-5 Angstroms), but others have
apparently had some success with
Hi All,
I've got data that go to only about 3.2 A and they're anisotropic, i.e. better
along c but worse along a and b. Heard that density sharpening may give
improvements.
I searched the BB for relevant info. It seems that Truncate has been modified
years ago to allow sharpening. Is it done