[Imgcif-l] Pilatus 2M putative full CBF implementation

[Nicholas Sauter]

Graeme,

The new dataset looks good in terms of the indexing process with LABELIT.

Cheers,
Nick

On Thu, Jun 30, 2011 at 8:44 AM, <Graeme.Winter at diamond.ac.uk> wrote:

> Dear people interested in imgCIF,
>
> As you will no doubt know, we have been battling for a while to get to
> generating full cbf images from our detectors. We have now reached a
> milestone - full cbf images from Pilatus instruments which cbflib recognises
> and can read, and that can be processed with our automated software.
> However, we felt that it would be important to make these data available for
> review among CIF experts to ensure that there are no real boo boo's in
> there.
>
> So, a full Pilatus2M image data set can be found from:
>
> ftp://ftpanon.diamond.ac.uk/GraemeWinter/CBF/Pilatus2M/C.tar.bz2
>
> which appears to process well using xia2 / XDS, which relies on pycbf now
> included in cctbx to read the image headers and is currently an unreleased
> version. It is unreleased for a good reason: the assumptions which define
> the CIF in the images here are the same set of assumptions used in
> understanding them, though the headers are based on those from an ADSC Q315
> so should be good. If you are keen though you can get the bleeding edge code
> from sourceforge.
>
> The axes described are the "canonical" rather than true ones i.e. they are
> where we would ideally like everything to be rather than where everything is
> actually measured to be - the latter will be a refinement at some point in
> the future.
>
> What would I like? People to download this, unpack it and critique the
> headers which are contained therein.
>
> For people who are interested in the how, you will also find a .cif file in
> the tarball - this was generated by GDA from a metatemplate using some
> Python code and is used by the "camserver" program to compose the full cbf
> image. Any errors in the CIF are therefore my fault in composing this
> template and need fixing!
>
> Thanks in advance and best wishes,
>
> Graeme
>
> Dr. Graeme Winter
> Senior Software Scientist
> Diamond Light Source
>
> +44 1235 778091 (work)
> +44 7786 662784 (work mobile)
>
>
>
>
>
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-- 
Nicholas K. Sauter, Ph. D.
Computer Staff Scientist/Engineer
Physical BioSciences Division
Lawrence Berkeley National Laboratory
1 Cyclotron Rd., Bldg. 64R0121
Berkeley, CA 94720-8118
(510) 486-5713