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Re: [Imgcif-l] CBF file templates

Dear Herbert & list,

One template per beamline is probably, in reality, the way it would
work. We would just make sure that they are all the same. Adding ????
For the detector software to fill in sounds like good sense. Is this
kind of thing supported? An alternative is to have some boiler plate
which needs to be copied in, then work on getting the format for the
detector produced bit the same. These are essentially the same problem.

What's the consensus on the best approach? Does everyone support the use
of templates?

At the other end, I assume that the contents of the current ADSC CBF
header represent the minimum which should be in place for e.g. Mosflm to
make sense of the image, and anything we add will be ignored. XDS
ignores the header anyway. D*TREK, HKL - any comments?

Thanks,

Graeme 

-----Original Message-----
From: imgcif-l-bounces@iucr.org [mailto:imgcif-l-bounces@iucr.org] On
Behalf Of Herbert J. Bernstein
Sent: 29 September 2009 11:34
To: The Crystallographic Binary File and its imgCIF application to image
data
Subject: Re: [Imgcif-l] CBF file templates

Dear Colleagues,

   Right now the utilities in the library use templates that are
intended to be for just one beamline per template, so they are set up
with tags with zero values for the items that they know will be
populated from the detector and known specific values for the beamline
for items that come from the beamline geometry.  If we are going to have
master templates, there would seem to be more cases:

    1.  Items that will be supplied by every detector.
    2.  Items that will be supplied by some detectors but not others
    3.   Items that will be supplied by every beamline
    4.   Items that will be supplied by some beamlines but not
others

I would suggest using "?", rather than "0" values for all items that are
know known for sure in writing the master template. Then in specializing
for a given beamline (e.g. in setting up the axes), all of the "?" for
3, hopefully a lot for 4 could be removed and replaced with known
values. 
When the detector data is merged with the beam-line specific tempate,
hopefully all "?" for 1 and a lot for 2 would be replaced with data from
the detector.  The "?" that are left would then be clear markers of what
was supplied neither by the beamline nor by the detector.  I am working
on the code to allow comments to be preserved and copied along with
data, so we could carry remarks such as:

   # This item should be supplied by every beamline
   # This item should be supplied on beamlines ..., ... ...
   # This item should be supplied by every detector
   # This item should be supplied by detectors ..., ... ...

or is people, prefer, we can add CIF tags with the same info

   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@dowling.edu
=====================================================

On Tue, 29 Sep 2009, Winter, Graeme (DLSLtd,RAL,DIA) wrote:

> Dear CBF'ers,
>
> I'm working on trying to establish a "Diamond standard" template for 
> our CBF files across a number of detectors, and I was wondering how 
> this is best specified. What would be ideal would be to set up a 
> template which contains those things that the beamline "knows" but the

> detector does not, then have the detector software populate the other
fields (e.g.
> exposure time, integration time, maximum trusted pixel, oscillation 
> start / end) to give a full description.
>
> Now, has anyone done something like this? If so, how do you specify 
> the fields which are to be replaced? If not, does anyone have an 
> opinion on how this should be done?
>
> Thanks,
>
> Graeme
>
> Graeme Winter
> Software and MX Support Scientist
> Diamond Light Source
>
> +44 1235 778091 (work)
> +44 7786 662784 (work mobile)
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>
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