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Re: area detector cif definitions


	A quick follow up and explanation to Andy's message.  Firstly, 
for the sticklers for accuracy, the document that Andy was asked to 
approve is the coreCIF-2 (not the DDL-2 which is a very different 
animal).  The coreCIF-2 is an extension of the original cif dictionary 
designed primarily to meet the needs of traditional small molecule 
crystallographers.  It covers a small number of items that experience with 
papers submitted to Acta Cryst. have shown are needed.

	The problem that Andy refers to is an extension to this extension. 
The second extension is quite limited in scope and is designed to meet the
needs of Acta Cryst. papers that report structures determined using area
detectors.  Since we expect a flood of these in the coming year or so, we
need to define a few extra items.  Our needs are quite modest in terms of
the amount and type of additional information we will require, but we have
taken the opportunity to define a few other items that people might wish
to report for area detectors, e.g detector distance, resolution, detector
dimensions, exposure times and number of frames exposed.  However, it is
likely that some of these proposed definitions would not be machine
interpretable or may conflict with the way in which you would prefer to
define them.  I referred the draft definitions to Andy so that he could
advise us whether they would be useful to imageNCIF or whether they would
prove to be an embarrasement because they have not been properly thought
through.  There is an urgency about getting definitions for the few items
that Acta Cryst. needs, but the others could be deferred until this
discussion group has had a chance to come to grips with the problem. 
Timely feed back would be useful, as the current draft has to be approved
in the next few weeks and I do not want to prejudice any definitions that
you may eventually come up with.  I will be watching anything posted on
this group. 

			David Brown


*****************************************************
Dr.I.D.Brown
Brockhouse Institute for Materials Research, 
McMaster University, Hamilton, Ontario, Canada
1-(905)-525-9140 ext 24710
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