Repositories in Profile – nmrXiv

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”.

Figure 1: Screenshot from nmrXiv home page

Basic information

❏      Home Page:

❏      Country: DE

❏      Domain: Analytical Chemistry

❏      Usage: Open Access (data view), registration required (data contribution)

❏      Target group: Chemists, biologists

❏      User documentation:

❏      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, 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