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If you don't want scala to keep your Bijvoet-pairs separate, you
should uncheck the appropriate button in the ccp4i-GUI. However, since
you have SIGF_New, your mtz-file already contains the merged
Bijvoet-pairs.
Scala is not a refinement programm and you ought to check the input
file for phenix where to tell it to use the merged data rather than
the unmerged data, and also need to check the phenix log-file to
figure out why it calculates the completeness so low.
Regards,
Tim
On 12/04/2012 11:55 PM, Yarrow Madrona wrote:
> Hello CCP4 users,
>
> My column labels from scala include:
>
> SIGF_New(+) and F_New as well as F_New(-) and SIGF_new(-)
>
> But also contains: SIGF_New, F_New DANO_New and SIGDANOW_NEW
>
> When I refine (phenix) using SIGF_NEW(+) and SIGF_New(-) my
> completeness does not match what comes out of the scala log file
> (97%). Instead it is only 90%
>
> But when I refine using Intensities and let phenix.refine run
> truncate I get the expected completeness of 97% in my log file.
>
> Is there something special you have to do in Scala to tell it to
> combine anomalous and non-anomalous data for refinement using
> structure factors?
>
> I don't need the anomalous data so I don't need to keep it
> separate.
>
> Thanks.
>
> -Yarrow
>
>
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
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