consolidate the nmrML.xsd

[DJ]

Steffen Neumann a écrit :

>We should consolidate the nmrML.xsd in the tools prior to the paper submission,
>nmRIO also has an old copy. DanielS has progressed on the manuscript,
>and we'll discuss after the COSMOS reporting frenzy.

Indeed !

1/ We have to add the types: 'SpectrumRefType' & 'SpectrumRefListType' :

See https://github.com/nmrML/nmrML/blob/master/examples/quantification_example/biological_serum_1.nmrml
  <spectrumAnnotationList>
          <quantification spectrumRef="spectrum1"></quantifiedCompoundList>
          ...
          </quantification>
  </spectrumAnnotationList>

where 'spectrumRef' is an xs:IDREF type. So, it must be defined with a type 'Spectrum Ref', which itself is linked to a type of spectrum (SpectrumType)


2/  Why the two sections xAxis ( AxisWithUnitType ) and yAxisType (CVTermType) have been removed under the spectrum1D section?
They are very usefull to rebuild the ppm scale; without, I don't see how we can do it!

If all of you are alright, I can added these types in the nmrML.xsd and then update on the github ?

Yours,
Daniel J.