[phenixbb] maps : sigma-a

Pavel Afonine pafonine at lbl.gov
Wed Oct 6 07:10:55 PDT 2010


isn't it better to use all data in refinement and expect that the ML 
target will down-weight those reflections that needs to? And if you have 
one single reflection at 1A resolution, while the data extends complete 
up to 2A resolution, you would use it up to 2A anyway?
Anyway, I hope Randy might comment on this...

Regardless, as I wrote yesterday I will add this functionality as soon 
as I get a chance.


On 10/6/10 6:48 AM, crystallogrphy wrote:
> Hi, Pavel:
> I actually also need this function: sigma vs resolution, because I 
> want to determine what is the real resolution of my crystal data. 
> Randy Read and Axel Brunger had a paper talking about it.
> On Wed, Oct 6, 2010 at 12:47 AM, Pavel Afonine <pafonine at lbl.gov 
> <mailto:pafonine at lbl.gov>> wrote:
>      Hi Bryan,
>         how might one start to go about getting phenix to
>         automatically write out the value of sigma_A vs. resolution?
>         e.g. when making maps, to get that nice table in Randy Read's
>         SIGMAA program output of ln(sigma_A) vs. resolution.
>     easy -:) Simply nobody asked for this so far so it's not there. I
>     will add it within next few weeks and let you know once it is
>     available. It's not computed at the moment (we use different
>     parametrization) but I can reformulate it to get what you want.
>     May I ask you why you need it?
>     Thanks!
>     Pavel.
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