standards > model/format > DOI:10.25504/FAIRsharing.es03fk

ready Nuclear Magnetic Resonance Markup Language

Abbreviation: NMR-ML

General Information
nmrML is an open mark-up language for NMR raw and spectral data. It is has recently seen its first proper release, ready for public use. The development of this standard was previously coordinated by the COSMOS - COordination Of Standards In MetabOlomicS Project. It is now maintained within the PhenoMeNal Eu project tasked to disseminate metabolomics data through life science e-infrastructures. The nmrML data standard is approved by the Metabolomics Standards Initiative and was derived from an earlier nmrML that was developed by the Metabolomics Innovation Centre (TMIC). It follows design principles of its role model, the mzML data standard created by PSI for mass spectrometry.

How to cite this record NMR-ML; Nuclear Magnetic Resonance Markup Language; DOI:; Last edited: Jan. 8, 2019, 1:31 p.m.; Last accessed: Nov 18 2019 9:23 p.m.

This record is maintained by DanielSchober  ORCID  and salek  ORCID

Record updated: March 15, 2018, 10:21 a.m. by The FAIRsharing Team.

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nmrML: A Community Supported Open Data Standard for the Description, Storage, and Exchange of NMR Data

Daniel Schober, * , † Daniel Jacob, ‡ Michael Wilson, § Joseph A. Cruz, § Ana Marcu, § Jason R. Grant, § Annick Moing, ‡ Catherine Deborde, ‡ Luis F. de Figueiredo, ∥ Kenneth Haug, ∥ Philippe Rocca-Serra, ⊥ John Easton, # Timothy M. D. Ebbels, ⊗ Jie Hao, ⊗ Christian Ludwig, $ Ulrich L. Gu ̈ nther, × Antonio Rosato, ○ Matthias S. Klein, ¶ Ian A. Lewis, ¶ Claudio Luchinat, ○ Andrew R. Jones, ∇ Arturas Grauslys, ∇ Martin Larralde, + Masashi Yokochi, ◆ Naohiro Kobayashi, ◆ Andrea Porzel, & Julian L. Gri ffi n, % Mark R. Viant, ■ David S. Wishart, § Christoph Steinbeck, ∥ Reza M. Salek, * , ∥ and Ste ff en Neumann
Anal. Chem. 2017

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Implementing Databases (4)
MetaboLights is a database is a collection of metabolite structures. This resource provides information on the compound origins,the biological roles, locations and concentrations, as well as experimental data from metabolic experiments. The tools and capabilities of this database is firmly routed in collaborative working worldwie with the metabolomics community such as the Metabolomics Society and the associated Metabolomics Standards Initiative (MSI).

Golm Metabolome Database
The Golm Metabolome Database (GMD) provides gas chromatography (GC) mass spectrometry (MS) reference spectra, reference metabolite profiles and tools for one of the most widespread routine technologies applied to the large scale screening and discovery of novel metabolic biomarkers.

The Human Metabolome Database
The Human Metabolome Database (HMDB) is a database containing detailed information about small molecule metabolites found in the human body.It contains or links 1) chemical 2) clinical and 3) molecular biology/biochemistry data.

Biological Magnetic Resonance Databank
BMRB collects, annotates, archives, and disseminates (worldwide in the public domain) the important spectral and quantitative data derived from NMR spectroscopic investigations of biological macromolecules and metabolites. The goal is to empower scientists in their analysis of the structure, dynamics, and chemistry of biological systems and to support further development of the field of biomolecular NMR spectroscopy.

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