Re: [Animl-develop] Update to JCAMP Converter

[Prof. R. J. L. <rob...@uw...>]

Amanda and Mark,

It would seem my original email was unclear since I do recognise the
importance of data definitions and have worked on producing these
for JCAMP-DX for many years with the latest just published for
ESR/EPR/EMR.

My difficulty was in trying to determine whether some of the
elements being suggested for use should have come from a standard
set of terms or whether they could be free text.

When I first wrote, I was having trouble with
<SampleSet>
    <Sample sampleID="...." derived="false">

followed later by entries under
<MeasurementData>
    <SamplesUsed>
      <SampleRef  sampleID= "..."  role="SampleMeasurement" purpose="consumed" />

Given that there may be additional information given under the original
section of <Sample> such as name, owner, MP, BP CAS, INCHI
it would seem important when trying to write software to read this information
to be able to identify AT THAT STAGE that
the information in a particular sampleset belongs to the actual
sample being measured and is not from the blank or reference etc.

Hence my question as to whether sampleID should be a reserved string
and not free text.  Alternatively it would be possible to have
the ROLE descriptor there as long as the term "SampleMeasurement"
is a recognised keyword for ALL techniques and the alternatives
were also recognised as such by ALL techniques as well e.g
blank, solvent, reference etc.
Are these defined somewhere for ALL techniques? If so where do
I find them?

I hope this request is clearer?

Thanks
Robert


on 20/04/2006 08:17 AM Mar...@gs... said the following:
> 
> AnIML has a process for obtaining semantic definitions; that's what the 
> Technique definitions are for.  Each technique is in charge of creating 
> its own semantic vocabulary based on Maren Fiege's gleanings from JCAMP 
> dictionaries as a core.  The understanding of the AnIML XML core 
> structure and the semantics in the Technique definitions is key to using 
> AnIML correctly.  It is true that the Techniques are incomplete, so this 
> is a great place for newcomers to get involved.
> 
> Mark (chair of the mass spectrometry Technique group that hasn't even 
> met yet)


-- 
Prof. Robert J. Lancashire   mailto:rob...@uw...
Department of Chemistry                           Tel (876) 512 3026
University of the West Indies, Kingston 7     Fax (876) 9771835
Mona Campus, JAMAICA.  http://wwwchem.uwimona.edu.jm/chrl.html