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[Imgcif-l] Direct beam vector / direction

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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