nmrML and SpectrumPeakList

[DJ]

Hi,

The extension of the XSD schema is well designed for reference compounds or for samples with well done annotations. But what about NMR fingerprinting ?

So, I submit a proposal for discussion : is it possible to link a "spectrum Peak List" object (as optional) to the spectrum 1D objet ?

To avoid redundancy, we could add a xs:ID attribut to each peak;  those linked to assignment object could refer to it by a xs:IDREF, as shown below:

Spectrum1D=> spectrumPeakList => peak (xsID)

PeakAssignmentList  => Assignment => peakList => peak (xs:IDREF)

Waiting for your comments ...

Thanks.

regards,

Daniel J.