Overview
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 as a part of NFDI4Chem initiative 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 (Findable · Accessible · Interoperable · Reusable) 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.
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Why nmrXiv?
Over the past few decades, several attempts have been made to host literature-derived NMR data; however, these databases do not meet the needs of all chemical communities (including natural products & metabolomics) in several ways, including a lack of experimental data, limited search capabilities, and more importantly, they are not FAIR compliant.
nmrXiv is the first FAIR and Open archive to preserve NMR data in its original instrument format, and it promotes Open Data and Open Standards to maximize long term sustainability of the resource and FAIRness of the archived data.
