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@NRayya NRayya commented Mar 13, 2024

This PR updates the CHEBI import module to also include those chemical that have a NMR chemical shift reference compound role.
addresses #6

@NRayya NRayya requested a review from StroemPhi March 13, 2024 15:42
@StroemPhi StroemPhi changed the title import NMR references Add CHEBI terms that need to be imported Mar 18, 2024
@StroemPhi StroemPhi self-assigned this Mar 18, 2024
@StroemPhi StroemPhi merged commit 49e84aa into Import-CHEBI-dependencies Mar 18, 2024
@StroemPhi StroemPhi deleted the defs-references branch March 18, 2024 11:34
@StroemPhi StroemPhi mentioned this pull request Mar 19, 2025
StroemPhi added a commit that referenced this pull request Mar 21, 2025
This PR makes a new release for nmrCV to reflect the current changes made by NFDI4Chem.

Changes summary:
* **ATTENTION: This might introduce breaking changes with regard to using nmrCV in conjunction with nmrML! 
   We therefore advise to keep using nmrCV version 1.1.0 with nmrML!**
* The maintenance & development of nmrCV was migrated to an [Ontology Development Kit based workflow](https://github.com/INCATools/ontology-development-kit/tree/master), see also: #1, #8, #14 & #30. Due to that nmrCV:
   * is now also published in the form of `full` and `base` [release artefacts](https://oboacademy.github.io/obook/reference/release-artefacts/) in .obo, .ttl as well as .owl serialization.
   * now imports terms from exisiting ontologies, such as CHEBI, BFO, RO, OBI & IAO, instead of redefining them anew,
      * most importantly it imports chemical entites from CHEBI as was initially planned and its nmrCV placeholder terms where thus properly deprecated, see also #13, #18, #26, #29. #53, #54 & #55,
   * is now using a date based versioning scheme instead of a [semantic versioning scheme](https://semver.org/), starting with the 2025-03-19 release, which can be interpreted as a 2.0_alpha version.
* In the present PR the ontology annotations where updated to include the new NFDI4Chem contributors and to reflect the reviving of nmrCV and its new scope.
   * Annotations specific to the contributors of the previous version where adjusted, in that contributors are now consistently listed individually using `dc:contributor` where no ORCID could be identified and `dcterms.contributor` where corresponding ORCIDs could be identified.
* The textual definition of `NMR sample` was made more general in #2.
* The NMR manufacturer pattern was harmonized with OBI in #40
* The calibration compound branch was improved in #45.
* The class `characterized compound` was added in #37
 
A complete list of changes was created with `robot diff`:
* [diff_nmrCV1.1-nmrCV2.0alpha.md](https://github.com/nmrML/nmrCV/blob/main/diff_nmrCV1.1-nmrCV_2025-03-20.md)
* [diff_nmrCV1.1-nmrCV2.0alpha.html](https://github.com/nmrML/nmrCV/blob/main/diff_nmrCV1.1-nmrCV_2025-03-20.html)
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3 participants