nmrML and SpectrumPeakList

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DJ

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Sep 19, 2014, 3:20:26 AM9/19/14
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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.
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