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Open, FAIR and Consensus-Driven NMR spectroscopy data repository and analysis platform

Quick facts

General Information

nmrXiv (pronounced nm-archive) is a FAIR and Open, Consensus-Driven Nuclear Magnetic Resonance (NMR) Data Repository and Computational platform. It is currently being developed with the ultimate goal of accelerating broader coordination and data sharing among researchers by creating a platform for managing, sharing, and analyzing raw and processed NMR spectral data.

The immediate goal of nmrXiv is to integrate and execute the following objectives by establishing nmrXiv as a consensus-driven resource designed to serve global chemistry research and adjacent natural products / metabolomics communities.

Software Development

To develop nmrXiv based on a voluntarily FAIR, cloud-based infrastructure that uses freely shared source code and deployment methods. Apply industry-grade development practices to ensure platform reliability, safety, and efficacy. Use Continuous Improvement principles will ensure an always-on user experience and high reliability. Release the codebase and infrastructure details (including the development, documentation, and usage practices) through MIT Open Source License for openness.

More details about the platform architecture and related topics – here

Submission, Curation, and Analysis

Enable the FAIR sharing of raw NMR data to enhance the quality of chemical research and dissemination. Also, to develop non-prescriptivist curation and analysis standards for data and metadata. Build standards with input and contributions from the community and make them compatible with existing and potential newly developed formats and approaches.

More details about the data standards and related topics – here

Workshops and Training

To engage analytical chemistry researchers and adjacent communities through webinars, workshops, tutorials, and community calls to ensure that nmrXiv meets the researchers’ needs and implements adequate incentive mechanisms for data contributions and curation.

This documentation site comprises detailed walk-through explanations from basic to more complex functionalities for developers (Developer Guides), submitters (Submission Guides) and users (Search and API) of nmrXiv. All the adopted core concepts, such as Data Schemas, NMR File Formats, tools & Converters, Ontologies, FAIR best practices, etc., are documented to ensure a clear scaffolding for developers to revisit previously developed parts and continue building upon them. This documentation-first approach allows developers and users to discuss proposed features and ensure that the implementations reflect the actual use cases.

Main authors: ORCID:0000-0002-2564-3243, ORCID:0009-0001-5998-5030