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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.

Homepage http://nmrml.org

Countries that developed this resource Canada , France , Germany , Italy , Netherlands , United Kingdom

Created in 2015

Knowledge Domains

Subjects

How to cite this record FAIRsharing.org: NMR-ML; Nuclear Magnetic Resonance Markup Language; DOI: https://doi.org/10.25504/FAIRsharing.es03fk; Last edited: May 20, 2021, 2:04 p.m.; Last accessed: Jan 17 2022 4:05 a.m.

This record is maintained by DanielSchober ORCID and salek ORCID

Record updated: May 11, 2021, 1:33 p.m. by The FAIRsharing Team.

Show edit history

Edits to 'https://fairsharing.org/FAIRsharing.es03fk' by 'The FAIRsharing Team' at 13:33, 11 May 2021 (approved):

	'supportLinks' has been modified:
		Before:
			forum|https://groups.google.com/forum/?hl=en#!forum/nmrml/join
			online documentation|https://github.com/nmrML/nmrML
			online documentation|https://github.com/nmrML/nmrML/wiki
			online documentation|http://nmrml.org/examples/
			schema file|http://nmrml.org/schema
			training|http://nmrml.org/tutorials/
		After:
			forum|https://groups.google.com/forum/?hl=en#!forum/nmrml/join
			online documentation|https://github.com/nmrML/nmrML
			online documentation|https://github.com/nmrML/nmrML/wiki
			online documentation|http://nmrml.org/examples/
			training|http://nmrml.org/tutorials/
		Added:
		Removed:
			schema file|http://nmrml.org/schema

	'publications' has been modified:
		Before:
			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
		After:
			nmrML: A Community Supported Open Data Standard for the Description, Storage, and Exchange of NMR Data|Daniel Schobe et al.|Anal. Chem.|2017
		Added:
			nmrML: A Community Supported Open Data Standard for the Description, Storage, and Exchange of NMR Data|Daniel Schobe et al.|Anal. Chem.|2017
		Removed:
			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

	'dataProcesses' has been modified:
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			Download Specification, data release, http://nmrml.org/schema
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			Download Specification, data release, http://nmrml.org/schema
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Edits to 'https://fairsharing.org/FAIRsharing.es03fk' by 'The FAIRsharing Team' at 10:21, 15 Mar 2018 (approved):

	'related_standards' has been modified:
		Before:
			bsg-s000069|Nuclear Magnetic Resonance Controlled Vocabulary
			bsg-s000175|Core Information for Metabolomics Reporting
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			bsg-s000069|Nuclear Magnetic Resonance Controlled Vocabulary
			bsg-s000175|Core Information for Metabolomics Reporting
			bsg-s001143|Extensible Markup Language
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			bsg-s001143|Extensible Markup Language
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Edits to 'https://fairsharing.org/FAIRsharing.es03fk' by 'DanielSchober' at 13:01, 29 Jan 2018 (approved):

	'year' has been modified:
		Before: 2017
		After: 2015

Edits to 'https://fairsharing.org/FAIRsharing.es03fk' by 'DanielSchober' at 13:10, 24 Jan 2018 (approved):

	'related_standards' has been modified:
		Before:
			bsg-s000069|Nuclear Magnetic Resonance Controlled Vocabulary
		After:
			bsg-s000069|Nuclear Magnetic Resonance Controlled Vocabulary
			bsg-s000175|Core Information for Metabolomics Reporting
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			bsg-s000175|Core Information for Metabolomics Reporting
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Edits to 'https://fairsharing.org/FAIRsharing.es03fk' by 'DanielSchober' at 13:00, 24 Jan 2018 (approved):

	'related_databases' has been modified:
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			biodbcore-000168|MetaboLights
			biodbcore-000186|Golm Metabolome Database
			biodbcore-000552|The Human Metabolome Database
		After:
			biodbcore-000168|MetaboLights
			biodbcore-000186|Golm Metabolome Database
			biodbcore-000552|The Human Metabolome Database
			biodbcore-000584|Biological Magnetic Resonance Databank
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			biodbcore-000584|Biological Magnetic Resonance Databank
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Edits to 'https://fairsharing.org/FAIRsharing.es03fk' by 'The FAIRsharing Team' at 12:48, 24 Jan 2018 (approved):

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			All|http://identifiers.org/taxonomy/1?resource=MIR:00100019
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			All|http://identifiers.org/taxonomy/1?resource=MIR:00100019
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Edits to 'https://fairsharing.org/FAIRsharing.es03fk' by 'DanielSchober' at 12:36, 24 Jan 2018 (approved):

	'organizations' has been modified:
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			European Union (EU)|Government body|Funds
			COSMOS European Union FP7|Government body|Maintains
			Proteomics Standard Initiative|Undefined|Maintains
			The Metabolomics Standards Initiative|Undefined|Maintains
			Metabolomics Standards Initiative (MSI)|Consortium|Undefined
		After:
			European Union (EU)|Government body|Funds
			COSMOS European Union FP7|Government body|Maintains
			Proteomics Standard Initiative|Undefined|Maintains
			The Metabolomics Standards Initiative|Undefined|Undefined
			Metabolomics Standards Initiative (MSI)|Consortium|Undefined
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			The Metabolomics Standards Initiative|Undefined|Undefined
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			The Metabolomics Standards Initiative|Undefined|Maintains

Edits to 'https://fairsharing.org/FAIRsharing.es03fk' by 'DanielSchober' at 12:19, 24 Jan 2018 (approved):

	'tools' has been modified:
		Before:
			Converter
			Validator
			nmrML2Isa
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			Converter
			Validator
			nmrML2Isa
			nmrProcFlow
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			nmrProcFlow
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Edits to 'https://fairsharing.org/FAIRsharing.es03fk' by 'DanielSchober' at 11:48, 24 Jan 2018 (approved):

	'description' has been modified:
		Before: nmrML is an open mark-up language for NMR data. It is currently under heavy development and is not yet ready for public use. The development of this standard is coordinated by Workpackage 2 of the COSMOS - COordination Of Standards In MetabOlomicS Project. COSMOS is a global effort to enable free and open sharing of metabolomics data. Coordinated by Dr Christoph Steinbeck of the EMBL-European Bioinformatics Institute, COSMOS brings together European data providers to set and promote community standards that will make it easier to disseminate metabolomics data through life science e-infrastructures. This Coordination Action has been financed with 2 million by the European Commission's Seventh Framework Programme. The nmrML data standard will be approved by the Metabolomics Standards Initiative and was derived from an earlier nmrML that was developed by the Metabolomics Innovation Centre (TMIC).
		After: 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.

Edits to 'https://fairsharing.org/FAIRsharing.es03fk' by 'DanielSchober' at 13:00, 30 Mar 2017 (approved):

	'contactName' has been modified:
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			Daniel Schober
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In Collections

Metabolomics Standards and Databases

H2020 Phenome and Metabolome aNalysis (PhenoMenal) Project

eTRIKS Standards Starter Pack

Chemistry

Support

General

forum	https://groups.google.com/forum/?hl=en#! ...
online documentation	https://github.com/nmrML/nmrML
online documentation	https://github.com/nmrML/nmrML/wiki
online documentation	http://nmrml.org/examples/
training	http://nmrml.org/tutorials/

Additional Information

Contact

Daniel Schober ORCID

Tools

Converter	http://nmrml.org/converter/
Validator	http://nmrml.org/validator/
nmrML2Isa	https://github.com/ISA-tools/nmrml2isa
nmrProcFlow	https://www.nmrprocflow.org/

Schemas

Name: nmrML
Version: 0.1.0

Download

Access / Retrieve Data

Conditions of Use

Applies to: Data use

Creative Commons CC0 1.0 Universal (CC0 1.0) Public Domain Dedication

Data Release

Download Specification

http://nmrml.org/schema

Other Web Services

A help page that list major nmrML compliant tools and webservices

http://nmrml.org/tools/

Publications

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

Daniel Schobe et al.
Anal. Chem. 2017

View Paper (PubMed) View Publication

Related Standards

Reporting Guidelines

Core Information for Metabolomics Reporting

Terminology Artifacts

Nuclear Magnetic Resonance Controlled Vocabulary

Models and Formats

Extensible Markup Language

Identifier Schemas

No identifier schema standards defined

Metrics

No metrics standards defined

Related Databases (4)

MetaboLights
MetaboLights is a database for metabolomics studies, their raw experimental data and associated metadata. The database is cross-species and cross-technique and it covers metabolite structures and their reference spectra as well as their biological roles and locations. MetaboLights is the recommended metabolomics repository for a number of leading journals and ELIXIR, the European infrastructure for life science information.

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.

Implementing Policies

This record is not implemented by any policy.

Credit

Record Maintainer

This record is maintained by DanielSchober ORCID and salek ORCID

Funds

European Union (EU) (Government body)

Maintains

COSMOS European Union FP7 (Government body)
Proteomics Standards Initiative (PSI) - Human Proteomics Organisation (HUPO) (Consortium)
Metabolomics Standards Initiative (MSI) (Consortium)

Grant Number(s)

654241 (European Union (EU))
EC312941 (European Union (EU))

Nuclear Magnetic Resonance Markup Language

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