Re: [ccp4bb] Density sharpening with Truncate?

2011-02-28 Thread Randy Read
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

Re: [ccp4bb] Density sharpening with Truncate?

2011-02-28 Thread Dirk Kostrewa
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

Re: [ccp4bb] Density sharpening with Truncate?

2011-02-25 Thread Pete Meyer
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

Re: [ccp4bb] Density sharpening with Truncate?

2011-02-25 Thread Dima Klenchin
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

Re: [ccp4bb] Density sharpening with Truncate?

2011-02-25 Thread Garib N Murshudov
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

[ccp4bb] Density sharpening with Truncate?

2011-02-24 Thread Chen Ming Wei
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