Requests from CHEBI - Githubissues

nmrML / nmrCV

Development of nmrCV terminology formerly included in the nmrML repository.

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Closed NRayya closed 3 weeks ago

NRayya commented 5 months ago

[x] Remove reference compounds not from IUPAC
- Check https://www.degruyter.com/document/doi/10.1351/pac200880010059/html
- Check table 4 https://www.degruyter.com/document/doi/10.1351/pac200173111795/html
[x] Remove role reference compound from helium(0) and assign it to elemental helium.
[x] Enhance chemical shift reference compound role def: A compound that produces the peak used as reference frequency in the δ chemical shift scale.

NRayya commented 3 weeks ago

We decide to postpone working on the noble gase for now until having CHEBI 2.0 The rest of the issues were resolved by CHEBI team https://github.com/ebi-chebi/ChEBI/issues/4504