[phenixbb] reflections file editor

Tim Gruene tg at shelx.uni-ac.gwdg.de
Tue Apr 14 03:44:38 PDT 2015

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Dear Almudena,

it would be better to go back one step to the scaling and scale the
two data sets together. The program you used for scaling each of the
two data sets will be able to do so. In XSCALE you would simply
declare to INPUT_FILEs and it would do everything right.

Merging the anomalous data with the native one would make sense if
this would improve the native data set (which has better resolution),
i.e. by improving the completeness. Unless you are desperate there is
probably not much reason to do so. If you still insist, again you
should go back to the scaling step, e.g. with XSCALE as mentioned above.

with regards,

On 04/14/2015 11:29 AM, Almudena Ponce Salvatierra wrote:
> Dear all,
> I would like to merge two datasets containing anomalous signal. If
> have done so earlier for native data within phenix in the
> reflections editor by selecting the arrays corresponding to FP and
> SIGFP and then running the program.
> However when I try to do so for the anomalous datasets it writes FP
> SIGFP and FP2 SIGFP2 instead or merging them, so it does with the
> anomalous signal... so I guess I have basically only one file
> containing two datasets but not a merged dataset. How can I solve
> it?
> Would it be possible, on the other hand, to merge a dataset with
> anomalous signal with a native one? The intention behind is to
> extend the resolution to the one of the native data.
> Best,
> Almudena
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- -- 
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
phone: +49 (0)551 39 22149


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