It is easy enough if you still ant to do it.
I would feed both into f2mtz separately to make a mysadIplus.mtz and a mysadImin.mtz
then use CAD to combine and change the default labels to something like I(+) SIGI(+) and I(-) SIGI(-)
But as George says Why do you want it? That will change the way you proceed.
Eleanor
On 14 Nov 2013, at 21:08, George Sheldrick wrote:
> I'm not sure why you want to do that. If you wish to look at a map or poly-Ala trace from SHELXE, just read the .pdb and then .phs files into Coot directly. If you want to use them to make pictures with PYMOL, use Tim Gruene's SHELX2map. For further information please go to the SHELX homepage (Google knows where it is).
>
> George
>
> On 11/14/2013 10:09 PM, Yarrow Madrona wrote:
>> I'm sorry,
>>
>> I have not used shelx before and didn't realize in my last post that the
>> anamolous data is kept separate. I am planning on converting both the
>> mysad.phs and mysad.pha to mtz files and then merge them. However, I am
>> not sure of the column lables in mysad.pha. Does anyone know how to get
>> this info?
>>
>> -Yarrow
>>
>
>
> --
> Prof. George M. Sheldrick FRS
> Dept. Structural Chemistry,
> University of Goettingen,
> Tammannstr. 4,
> D37077 Goettingen, Germany
> Tel. +49-551-39-33021 or -33068
> Fax. +49-551-39-22582
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