For chemists, it is crucial to know the advantages of different data repositories in order to find the best fit for their research data requirements. Here, we provide a brief overview of nmrXiv as part of our series “repositories in profile”.
Basic information
❏ Home Page: https://nmrxiv.org
❏ Country: DE
❏ Domain: Analytical Chemistry
❏ Usage: Open Access (data view), registration required (data contribution)
❏ Target group: Chemists, biologists
❏ User documentation: https://docs.nmrxiv.org/
❏ Number of datasets: 1609
❏ Recommended by journals/societies: Journal of Natural Products, Angewandte Chemie
❏ Listed in: re3data: r3d100014211, FAIRsharing: Awaiting DOI
Functionalities and technical information
❏ Content: NMR data of natural products
❏ Content origin: From projects
❏ Searchable content: Projects, spectra, compounds
❏ Accepted data types: Bruker, JEOL, JCAMP, NMReData, NMRium
❏ Used standards/ontologies: DataCite 4.0, Schema.org and Bioschemas, Recommendation Standard for Reporting Liquid-State NMR Experiments of Small Molecules
❏ Curation: Completeness check
❏ Access rights/license information/embargo: License is chosen by the user, embargo possible
❏ Persistent Identifier system: DOI (Digital Object Identifier)
❏ Authority identifier system: ORCID (Open Researcher and Contributor iD)
❏ Used Software: Laravel (PHP), Relational database (PostgreSQL)
❏ Interfaces: Web interface
❏ Further functionalities/tools: Molecules presented in a structure editor. Embedded NMRium to edit the spectra
