[phenixbb] observed reflection numbers of refinement greater than the experiment

[carlbluesky at yahoo.co.jp]

Hi Folmer,
   
  Thank you very much for your quickly reply.
   
  Actually, I didn't do any anomalous refinement by phenix.refine. I only used the default option.
   
  i checked the log file after refinement, it seems that the annomalous flag is true. But i don't clear the anomalous be used or not.
   
  If yes, how i can report the number of observed reflections of refinment when PDB deposition. 
  I know the number of reflections for refinement and experiment should be the number of all reflections which contains Friedel pairs.
  How i can make the SF file contains the Friedel pairs?

   
  Thank you.
   
  Carl

Folmer Fredslund <folmerf at gmail.com> wrote:
  Dear Carl,

This might be an issue of whether you use the data as anomalous or
not. If the anomalous pairs are kept seperate then you will get
roughly twice the amount of data.

I guess you could easily see if this is true by looking in the log
file or in the top of the resulting pdb file.

Best regards,
Folmer Fredslund

2009/4/24 :
> Hi all,
>
> I have a problem with reflection numbers of phenix.refine.
>
> I did the phenix.refine then i found that the number of observed reflections
> given for the refinement 75747 (48-2.85A) is greater than the number of
> observed reflections
> for the experiment 40434 (50-2.85A). It shoud be around 40000.
> .
> This is a peak of MAD data about 2.85A. I used the TLS parameters to refine
> the structure.
> I really don't know why because this is my first time use phenix to do
> refinement.
>
> Any advice and suggestion are welcome!
> Thanks.
>
> Carl
>
>
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