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nmrML specifications


Unique identifier OMICS_06698
Name nmrML
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Computer skills Advanced
Stability Stable
Maintained Yes


No version available

Publication for nmrML

nmrML citations


Beyond genomics: understanding exposotypes through metabolomics

Hum Genomics
PMCID: 5787293
PMID: 29373992
DOI: 10.1186/s40246-018-0134-x

[…] taboLights (http://www.ebi.ac.uk/metabolights/) has already assembled data from 317 metabolomics studies as of December 2017. Common data submission formats, such as mzML/mzXML for mass spectrometry, nmrML for NMR data, and ISA-Tab format for metadata, have helped to unify this process [, ]. But the research community must be careful to not generate an excess of unconnected data repositories. Mult […]


NMRProcFlow: a graphical and interactive tool dedicated to 1D spectra processing for NMR based metabolomics

PMCID: 5313591
PMID: 28261014
DOI: 10.1007/s11306-017-1178-y

[…] ors namely Bruker GmbH & Agilent Technologies (Varian) and in addition the Bruker folder structure with 1r files are also supported (see Supplementary Information S1). Besides, we already support the nmrML format (http://nmrml.org/, Rocca-Serra et al. ). In a next version the final goal will to achieve a complete export in this new standard format, thus allowing to describe based on an ontology th […]


Methodological challenges and analytic opportunities for modeling and interpreting Big Healthcare Data

PMCID: 4766610
PMID: 26918190
DOI: 10.1186/s13742-016-0117-6

[…] Clinical Data Interchange Standards Consortium (CDISC) [], proteomics mass spectrometric data format (mzML) [], and the nuclear magnetic resonance spectroscopy for metabolomics data markup language (nmrML) []. Powerful controlled vocabularies enable annotation, integration and servicing of millions of names, concepts and meta-data (e.g. diseases, conditions, phenotypes), and their relationships, […]


Data standards can boost metabolomics research, and if there is a will, there is a way

PMCID: 4648992
PMID: 26612985
DOI: 10.1007/s11306-015-0879-3

[…] tandards have evolved over time include the multiple data standards for mass spectrometry (MS) and NMR spectroscopy raw data, as described below, resulting in the widely used mzML format and emerging nmrML format. […]


From raw data to data analysis for magnetic resonance spectroscopy – the missing link: jMRUI2XML

BMC Bioinformatics
PMCID: 4640235
PMID: 26552737
DOI: 10.1186/s12859-015-0796-5

[…] tives to develop guidelines for data acquisition and analysis, quality assessment, and interpretation [].An ongoing project, COSMOS (Coordination of Standards in Metabolomics) is currently developing nmrML [], an open mark-up language for MRS data. However at the moment it is limited to metabolomics, high-resolution NMR data. This format deals mainly with acquisition parameters, and although a pro […]


COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access

PMCID: 4605977
PMID: 26491418
DOI: 10.1007/s11306-015-0810-y

[…] e metabolomics community needs, and as mentioned above we regularly consult with the Metabolomics Society. In addition, COSMOS developing the missing XML exchange formats for NMR spectroscopy such as nmrML, nmrIdentML, nmrQuantML and nmrTab needed by databases and open source software such as NMRLab/MetaboLab (Ludwig and Gunther ) Bayesian AuTomated Metabolite Analyser for NMR spectra (BATMAN) (Ha […]


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nmrML institution(s)
European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire, UK

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