[phenixbb] map coeffs?

[Pavel Afonine]

Hi Walter,

yes, the latest version of phenix.refine creates four maps:

2mFo-DFc and mFo-DFc, where missing Fo are filled with DFc,

and

2mFo-DFc and mFo-DFc, where Fo are taken and used "as is" (the 
corresponding coefficients in "_map_coeffs.mtz" file are marked with 
"_no_fill").

Maps computed with "filled" Fobs are supposed to be better looking (for 
incomplete datasets) and may help in resolving unclear / ambiguous 
densities. However, you need to use regular maps (computed with 
untouched Fobs) for presenting pictures in publications.

Pavel.


On 2/3/2009 9:13 AM, Walter Novak wrote:
> Hi all,
>
> I am doing joint X-ray neutron refinement, and in the 1.4-3 version I  
> now get twice the number of choices of map coefficients when opening  
> the mtz. Half now have "no_fill" with them. I am assuming that the  
> difference between maps has something to do with missing Fobs, is that  
> right? Which maps should I be looking at then?
>
> Thanks,
> Wally
>
> Walter R.P. Novak, Ph.D.
> Postdoctoral Fellow
> Rosenstiel Basic Medical Research Center
> Brandeis University
> 415 South St. MS 029
> Waltham, MA 02454-9110
> Phone: (781) 736-4944
> Fax: (781) 736-2405
>
>
>
>
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