Dear Herman,
no, I don't think this is routine, yet!
First of all, instrument manufacturers need to catch up. What's on the
market is quite behind what is possible - although, I don't have the
instrument I'd love to have, but at least the meta data transfer to the
image headers only works when you work with a native CCD camera (stone
age, I know), not with a hybrid pixel detector.
Secondly, Lukas Palatinus' software is, as far as I know, not yet
compatible with the rotation method, i.e. when you use XDS or DIALS or
mosflm, etc, you cannot use his software for dynamic refinement. I also
understand that dynamic refinement is quite time consuming. Lukas is
working on this, though.
Best wishes,
Tim
On Mon, 20 Jul 2020 10:36:49 +0000
"Schreuder, Herman /DE" <[log in to unmask]> wrote:
> Hi Tim,
>
> thank you for your reply. The 1998 Schenk paper is "new" to me, I had
> seen this one:
> https://science.sciencemag.org/content/sci/364/6441/667.full.pdf The
> background of my question was about the status in practice: Is it
> possible to routinely determine the absolute configuration of small
> molecules by electron diffraction, or is it something that in theory
> can be done, but only difficult in practice?
>
> Best,
> Herman
>
>
>
> -----Ursprüngliche Nachricht-----
> Von: Tim Gruene <[log in to unmask]>
> Gesendet: Montag, 20. Juli 2020 11:03
> An: CCP4 bulletin board <[log in to unmask]>; Schreuder, Herman
> /DE <[log in to unmask]> Betreff: [EXTERNAL] chirality with
> electron diffraction
>
> EXTERNAL : Real sender is [log in to unmask]
>
>
>
> Dear Herman,
>
> The absolute configuration can be determined, although very
> differently from X-ray ccrystallography.
>
> So far, two different experimental approaches have been published:
> Ma, Oleynikov, Terasaki (2017), https://doi.org/10.1038/nmat4890
>
> and Brazda et al (2019), 10.1126/science.aaw2560
>
> The former is based on imaging, the latter is based on dynamical
> refinement: Jansen, Tang, Zandbergen, Schenk (1998),
> https://doi.org/10.1107/S0108767397010489
>
> There is a very interesting paper by Burmester and Schroeder
> Scanning Microscopy Vol. 11, 1997 (Pages 323-334). According to this
> paper, the anomalous signal in ED is actually stronger than in X-ray
> crystallography. As far as I know, this has not been pursued further.
>
> Best wishes,
> Tim
>
> P.S.: This is a response to your email to Jessica Bruhns in the
> thread 'quote source inquiry'. This thread has reached an overflow,
> so I took the liberty to adjust the subject.
>
> --
> --
> Tim Gruene
> Head of the Centre for X-ray Structure Analysis Faculty of Chemistry
> University of Vienna
>
> Phone: +43-1-4277-70202
>
> GPG Key ID = A46BEE1A
--
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna
Phone: +43-1-4277-70202
GPG Key ID = A46BEE1A
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