[Imgcif-l] Direct beam vector / direction

[Herbert J. Bernstein]

Yes -- that all sounds right. -- Herbert

=====================================================
  Herbert J. Bernstein, Professor of Computer Science
    Dowling College, Kramer Science Center, KSC 121
         Idle Hour Blvd, Oakdale, NY, 11769

                  +1-631-244-3035
                  yaya at dowling.edu
=====================================================

On Thu, 23 Jun 2011, Graeme.Winter at Diamond.ac.uk wrote:

> Hi Folks,
>
> So, I am looking very closely into the cif side of imgCIF now and have started to wonder about how / where we record the direct beam vector. Specifically:
>
> - the rotation axis is canonically 1, 0, 0
> - the component of the vector from sample to source PERPENDICULAR to the primary rotation axis is 0, 0, 1
>
> In the example CIF headers in the big book (Tables G) there is a
>
> SOURCE general source . 0 0 1 . . .
>
> record which I assume would be the place (small values for 0 0 assumed, near unity for 1 when we add in "real" values) however there does not appear to be a mechanism in cbflib to extract this easily, in the same way that there is for the rotation axes and detector orientation.
>
> Before I start to code up a mechanism to fetch this out I thought I should check my assumptions first!
>
> Is this right?
>
> Many thanks in advance,
>
> Graeme
>
> Dr. Graeme Winter
> Senior Software Scientist
> Diamond Light Source
>
> +44 1235 778091 (work)
> +44 7786 662784 (work mobile)
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>
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