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

Fri Jul 1 08:50:35 BST 2011

Thanks Nick,

Out of interest, and for the record, are you reading the 'full' CIF header in these CBF files, or the embedded 'miniCBF' header. And is there any slowdown if it's the 'full' CIF header?

Alun
___________________________________________________________
Alun Ashton, alun.ashton at diamond.ac.uk Tel: +44 1235 778404
Scientific Software Team Leader,  http://www.diamond.ac.uk/
Diamond Light Source, Chilton, Didcot, Oxon, OX11 0DE, U.K.

> -----Original Message-----
> From: imgcif-l-bounces at iucr.org [mailto:imgcif-l-bounces at iucr.org] On
> Behalf Of Nicholas Sauter
> Sent: 30 June 2011 19:42
> To: The Crystallographic Binary File and its imgCIF application to
> image data
> Subject: Re: [Imgcif-l] Pilatus 2M putative full CBF implementation
> 
> 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
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Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom