[Imgcif-l] Nexus / cbf roundtrip

[Graeme.Winter at Diamond.ac.uk]

Dear Herbert,

If I may clarify: the intermediate "NeXus format" state - is the description of the rotation axes in there incomplete, i.e. not as well structured as the CIF? Or (as it sounds) is it simply that the contents of the imgCIF file are copied into NeXus, but that the resulting file is hard to interpret as NeXus?

Also, was it possible to copy the information in several imgCIF files into a single NeXus? I gather that in principle it should be.

Many thanks,

Graeme


-----Original Message-----
From: imgcif-l-bounces at iucr.org [mailto:imgcif-l-bounces at iucr.org] On Behalf Of Herbert J. Bernstein
Sent: 03 October 2011 12:10
To: The Crystallographic Binary File and its imgCIF application to image data
Subject: Re: [Imgcif-l] Nexus / cbf roundtrip

Dear Colleagues,

   An imgCIF file can be placed into an HDF5 file (via NeXus)  and 
recovered accurately.  Starting the trip the other way is a
more complex journey because there is not yet an agreed statement
of the representation of a PX experiment in NeXus.  For example,
the issue of the best handling of the nests of axes is still
to be resolved.  There is also the more general issue of
how best to represent the entire tree structure of HDF5
(for NeXus) as relational tables (for CIF), but I expect that
will fall out very naturally if we focus on the PX experiment.

   I would be very happy to participate in working out the
details.  If there is interest, I would suggest starting with
the nests of axes.

   Regards,
     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 Mon, 3 Oct 2011, Graeme.Winter at Diamond.ac.uk wrote:

> Return-path: <imgcif-l-bounces at iucr.org>
> From: <Graeme.Winter at Diamond.ac.uk>
> To: <imgcif-l at iucr.org>
> Thread-Topic: Nexus / cbf roundtrip
> Thread-Index: AcyBpo1rUTk8svcRRS6YJfqVOila5w==
> Date: Mon, 3 Oct 2011 08:29:22 +0000
> Message-ID: <13999B6FC038EB44B067771E3CFBD0911319E2 at EXCHMBX03.fed.cclrc.ac.uk>
> Subject: [Imgcif-l] Nexus / cbf roundtrip
> X-BeenThere: imgcif-l at iucr.org
> X-Mailman-Version: 2.1.9

> Hi Folks,
>
> Not wishing to open any kind of pot of worms, but recently someone asked 
> about interoperability between nexus and cbf files. Are there tools out 
> there which will export a set of cbf files to a nexus file and (most 
> importantly) invert this to recover the original cbf files?
>
> If so, how are the derived nexus files defined? It seems to me at the 
> moment that the nexus file descriptions give a less sophisticated 
> language for describing diffraction experiments.
>
> Many thanks,
>
> 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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