v2025-03-20

This is the first release of the reboot of nmrCV 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, see also: #1, #8, #14 & #30. Due to that nmrCV:
  • is now also published in the form of full and base 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, 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
• diff_nmrCV1.1-nmrCV2.0alpha.html

What's Changed

• Seeding empty nmrCV ODK repo by @StroemPhi in #1
• Moving all classes from v1.1 to the edit file in this repo by @StroemPhi in #8
• Edit NMR sample definition by @NRayya in #11
• Add CHEBI terms that need to be imported by @NRayya in #13
• Update to ODK 1.5 by @StroemPhi in #14
• Import chebi dependencies by @StroemPhi in #18
• Deprecate NMR:1000881 (chemical compound) and its children by @StroemPhi in #26
• Update to ODK 1.5.2 by @StroemPhi in #30
• Add relevant isotopes to import from CHEBI by @NRayya in #29
• Rework NMR instruments and manufacutrers by @StroemPhi in #40
• 9-new-term-charecterized-compound by @NRayya in #37
• Import IAO:0000140 setting datum by @NRayya in #44
• 4 restructure calibration compound by @NRayya in #45
• Update ODK to 1.5.4 by @StroemPhi in #52
• Clean up chemical entity #20 by @StroemPhi in #53
• Deprecate nmrCV compounds in favour of CHEBI by @NRayya in #54
• Assign reference compounds #48 by @NRayya in #55
• Make 2.0_alpha release by @StroemPhi in #60
• Fix ontology metadata by @StroemPhi in #62

New Contributors

• @StroemPhi made their first contribution in #1
• @NRayya made their first contribution in #11

Full Changelog: https://github.com/nmrML/nmrCV/commits/v2025-03-20