On Thu, 16 Jul 2015 21:18:50 +0200, Tim Gruene <[log in to unmask]> wrote:
>Hi Jacob,
>
>one possible explanation for a smoothly varying twin fraction would be
>two intergrown crystals (i.e. not a twin). Intergrown crystals often do
I like this explanation.
>so by a rotation of 180degrees, which is not your case, but maybe the
>rotation just happens to be close to your twin law.
Jacob's case is twinning in P3(2)12 making the data appear as P6(2)22, so it is indeed a rotation by 180°.
>
>There are experimental approaches to overcome such a problem:
>
>Uou could try higher concentration of the cryoprotectant to kick off the
>two crystals. Higher temperatur during crystal genesis is also often
>recommended.
>
>Best,
>Tim
>
>On 07/16/2015 09:12 PM, Keller, Jacob wrote:
>>
>> Ps The question is "now what?" I assume there is no software for fitting a smoothly-varying twin fraction estimate as a function of phi?
It would not be difficult to fit a curve of twin fraction estimates based on some points, and to write a program that detwins the data with a twin fraction depending on the phi angle.
best,
Kay
>>
>>
>
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>Dr Tim Gruene
>Institut fuer anorganische Chemie
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