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Dear Jacob,
in the mtz-file, you would list F, its hkl, and DANO. This should avoid the
ambiguity you point at.
Best,
Tim
On Monday, May 09, 2016 06:28:02 PM Keller, Jacob wrote:
> Dear Crystallographers,
>
> I am curious about the sign convention of Dano as follows:
>
> The definition of Dano of hkl is F(hkl) - F(-h-k-l), so for example
>
> Dano(2,3,5) = F(2,3,5) - F(-2,-3,-5)
>
> What about mixed-sign indices, for example
>
> Dano(2,3,-5) = F(2,3,-5) - F(-2,-3,5)
>
> OR
>
> Dano(2,3,-5) = F(-2,-3,5) - F(2,3,-5)
>
> What is the convention? I think this might possibly have ramifications for
> detwinning.
>
> JPK
>
>
> *******************************************
> Jacob Pearson Keller, PhD
> Looger Lab/HHMI Janelia Research Campus
> 19700 Helix Dr, Ashburn, VA 20147
> email: [log in to unmask]
> *******************************************
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Paul Scherrer Institut
Tim Gruene
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CH-5232 Villigen PSI
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