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<?xml version="1.0"?>
<rdf:RDF xmlns="http://nmrML.org/nmrCV#"
xml:base="http://nmrML.org/nmrCV"
xmlns:owl="http://www.w3.org/2002/07/owl#"
xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"
xmlns:protege="http://protege.stanford.edu/plugins/owl/protege#"
xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
xmlns:skos="http://www.w3.org/2004/02/skos/core#"
xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
xmlns:doap="http://usefulinc.com/ns/doap#"
xmlns:xml="http://www.w3.org/XML/1998/namespace"
xmlns:meta="http://www.co-ode.org/ontologies/meta.owl#"
xmlns:obo="http://purl.obolibrary.org/obo/"
xmlns:foaf="http://xmlns.com/foaf/0.1/"
xmlns:dc="http://purl.org/dc/elements/1.1/">
<owl:Ontology rdf:about="http://nmrML.org/nmrCV">
<owl:imports rdf:resource="http://purl.obolibrary.org/obo/bfo.owl"/>
<dc:rights>Creative Commons Public Domain Mark 1.0</dc:rights>
<doap:maintainer rdf:datatype="http://www.w3.org/2001/XMLSchema#string">http://www.metabolomics-msi.org/
http://phenomenal-h2020.eu/home/
http://www.cosmos-fp7.eu/WP2</doap:maintainer>
<doap:documenter rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Daniel Schober</doap:documenter>
<doap:bug-database rdf:datatype="http://www.w3.org/2001/XMLSchema#string">https://github.com/nmrML/nmrML/issues</doap:bug-database>
<doap:audience rdf:datatype="http://www.w3.org/2001/XMLSchema#string">This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments.</doap:audience>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level.
This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model.</obo:IAO_0000115>
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string">1.1.0</owl:versionInfo>
<doap:location rdf:datatype="http://www.w3.org/2001/XMLSchema#string">https://github.com/nmrML/nmrML/tree/master/ontologies</doap:location>
<owl:deprecated rdf:datatype="http://www.w3.org/2001/XMLSchema#string">http://www.metabolomicscentre.ca/nmrML/msi-nmr.obo</owl:deprecated>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Catherine Deborde</dc:contributor>
<dc:coverage rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project.</dc:coverage>
<doap:mailing-list rdf:datatype="http://www.w3.org/2001/XMLSchema#string">https://groups.google.com/forum/?hl=en#!forum/nmrml/join</doap:mailing-list>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Daniel Jacob</dc:contributor>
<oboInOwl:hasOBOFormatVersion rdf:datatype="http://www.w3.org/2001/XMLSchema#string">1.2</oboInOwl:hasOBOFormatVersion>
<oboInOwl:creation_date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2017-10-19T10:11:26Z</oboInOwl:creation_date>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Reza Salek</dc:contributor>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Michael Wilson</dc:contributor>
<obo:IAO_0000232 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">In case we like to be able to convert this owl CV back into the obo format, we should only use DL/owl constructs that are supported by obo. Hence, editors of this CV should take care not to use any higher descriptrion logics semantics, i.e. cardinality restrictions or defined terms using constructors. We should start to build the taxonomic backbone first and later connect the main axis via relations.
If we want to use restrictions, we should only use existential quantifiers as the OBO format does not support universal quantification.
List of terms required by current XSD (August 2013): these were bookmarked in CV (annotation property) and are visible in the new nmrTab:
CVTerm occurrences:
buffer--&gt;buffer
solvent--&gt;solvent
concentration standard type--&gt;calibration compound , what is chemical shift reference ? What calibration_reference_shift under calibration compound ?
concentration standard name we here see a use-mention problem arising for the CV. The xsd should probably change here to avoid this.
encoding method (Quadrature detection method) is this the same as encoding method ?
sample container--&gt;NMR_sample_holder
(spectrum) y axis type--&gt;coordinate system descriptor
post acquisition solvent suppression method Two usages in xsd, but with differrent type ? --&gt;solvent suppression method
calibration compound Two usages in xsd, but with differrent type ?--&gt;calibration compound
data transformation method--&gt;data transformation method
(spectral) projection method--&gt;projection method
spectral denoising method--&gt;spectral denoising method
window function method--&gt;window function method
baseline correction method--&gt;baseline correction
sample type--&gt;NMR sample
CVParam occurrences:
file content--&gt;data file content
software type--&gt;software
source file type--&gt;data file attribute (needs refactoring)
instrument configuration type--&gt;instrument configuration
processing method type--&gt;data processing method
CVParamType occurrences:
chemical shift standard--&gt;chemical shift standard
solvent suppression method--&gt;solvent suppression method
encoding scheme (Quadrature detection method)--&gt;encoding method
window function parameter--&gt;window function parameter
CVParamWithUnitType occurrences:
CVParamWithUnitType is currently not used in the xsd and dangling ! I assume ValueWithUnitType substitutes it ?
UserParamType occurrences:
No CV terms needed
ValueWithUnitType occurrences:
These will have to be used from the Unit ontology.</obo:IAO_0000232>
<oboInOwl:auto-generated-by rdf:datatype="http://www.w3.org/2001/XMLSchema#string">OBO-Edit 2.2</oboInOwl:auto-generated-by>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string">This version (1.1.0) uses the Basic Formal Ontology (BFO) as its top level ontology. We might at some point close the resulting semantic gap by using OBI and IAO as intermediate bridges.</rdfs:comment>
<foaf:homepage rdf:datatype="http://www.w3.org/2001/XMLSchema#string">http://nmrml.org/cv/</foaf:homepage>
<oboInOwl:saved-by rdf:datatype="http://www.w3.org/2001/XMLSchema#string">dschober</oboInOwl:saved-by>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Joseph Cruz</dc:contributor>
<dc:format rdf:datatype="http://www.w3.org/2001/XMLSchema#string">OWL
MIME type application/rdf+xml
(Rather flat CV in OWL syntax. Taxonomic backbone with few relations used. No OWL DL complexity such as cardinalities, blank nodes, nested class definitions. The Semantic Validator used an OBO converted file format due to historic reasons. The OBO file is auto-generated-by the OWL API (version 3.4.2).)</dc:format>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Philippe Rocca-Serra</dc:contributor>
<obo:IAO_0000112 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">http://nmrml.org/examples/</obo:IAO_0000112>
<oboInOwl:created_by rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Daniel Schober</oboInOwl:created_by>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Steffen Neumann</dc:contributor>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string">nuclear magnetic resonance CV</dc:title>
<protege:defaultLanguage rdf:datatype="http://www.w3.org/2001/XMLSchema#string">en</protege:defaultLanguage>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Daniel Schober</dc:contributor>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times.
People involved in the term creation from ID &gt;1400000 :
This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net):
Daniel Schober (EBI)
Chris Taylor (EBI and HUPO-PSI)
Dennis Rubtsov (Un of Cambridge, UK)
Helen Jenkins (Un of Wales, Aberystwyth, UK)
Irena Spasic (Center for Integrative Systems Biology, Manchester, UK)
Larissa Soldatova (University of Wales, Aberystwyth, UK)
Philippe Rocca-Serra (EBI and MGED Society)
Susanna-Assunta Sansone (EBI)
People involved in the term creation from ID&lt;1400000:
Joseph Cruz
Daniel Schober
Michael Wilson
Reza Salek
Daniel Jacob
David Wishart
Terms with IDs ID&lt;1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator.
Other people that substantially helped in revising the latest and Cosmos governed CV additions were:
Michael Wilson, Wishart Group, Edmonton, Alberta, Canada
Daniel Jacob, INRA, Bordeaux, France
Annick Moing, INRA, Bordeaux, France
Catherine Deborde, INRA, Bordeaux, France
Reza Salek, EBI, Hinxton, UK
Philippe Rocca-Serra, University of Oxford, Oxford, UK
Andrea Porzel, IPB-Halle, Germany
and the COSMOS WP2 team
A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title
`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen</dc:contributor>
<doap:implements rdf:datatype="http://www.w3.org/2001/XMLSchema#string">https://github.com/nmrML/nmrML</doap:implements>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Annick Moing</dc:contributor>
</owl:Ontology>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Annotation properties
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://purl.obolibrary.org/obo/IAO_0000115 -->
<owl:AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115">
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">definition</rdfs:label>
</owl:AnnotationProperty>
<!-- http://purl.org/dc/elements/1.1/coverage -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/coverage"/>
<!-- http://purl.org/dc/elements/1.1/source -->
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/source"/>
<!-- http://usefulinc.com/ns/doap#bug-database -->
<owl:AnnotationProperty rdf:about="http://usefulinc.com/ns/doap#bug-database"/>
<!-- http://www.geneontology.org/formats/oboInOwl#auto-generated-by -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#auto-generated-by"/>
<!-- http://www.geneontology.org/formats/oboInOwl#consider -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#consider"/>
<!-- http://www.geneontology.org/formats/oboInOwl#creation_date -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#creation_date"/>
<!-- http://www.geneontology.org/formats/oboInOwl#date -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#date"/>
<!-- http://www.geneontology.org/formats/oboInOwl#default-namespace -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#default-namespace"/>
<!-- http://www.geneontology.org/formats/oboInOwl#hasBroadSynonym -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasBroadSynonym"/>
<!-- http://www.geneontology.org/formats/oboInOwl#hasDbXref -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref">
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">database_cross_reference</rdfs:label>
</owl:AnnotationProperty>
<!-- http://www.geneontology.org/formats/oboInOwl#hasExactSynonym -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym">
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_exact_synonym</rdfs:label>
</owl:AnnotationProperty>
<!-- http://www.geneontology.org/formats/oboInOwl#hasOBOFormatVersion -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBOFormatVersion">
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_obo_format_version</rdfs:label>
</owl:AnnotationProperty>
<!-- http://www.geneontology.org/formats/oboInOwl#hasOBONamespace -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace">
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has_obo_namespace</rdfs:label>
</owl:AnnotationProperty>
<!-- http://www.geneontology.org/formats/oboInOwl#id -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
<!-- http://www.geneontology.org/formats/oboInOwl#saved-by -->
<owl:AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#saved-by"/>
<!-- http://www.w3.org/2000/01/rdf-schema#comment -->
<owl:AnnotationProperty rdf:about="http://www.w3.org/2000/01/rdf-schema#comment"/>
<!-- http://www.w3.org/2000/01/rdf-schema#label -->
<owl:AnnotationProperty rdf:about="http://www.w3.org/2000/01/rdf-schema#label"/>
<!-- http://www.w3.org/2004/02/skos/core#altLabel -->
<owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#altLabel"/>
<!-- http://www.w3.org/2004/02/skos/core#definition -->
<owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#definition"/>
<!-- http://www.w3.org/2004/02/skos/core#editorialNote -->
<owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#editorialNote"/>
<!-- http://www.w3.org/2004/02/skos/core#example -->
<owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#example"/>
<!-- http://www.w3.org/2004/02/skos/core#scopeNote -->
<owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#scopeNote"/>
<!-- http://xmlns.com/foaf/0.1/homepage -->
<owl:AnnotationProperty rdf:about="http://xmlns.com/foaf/0.1/homepage"/>
<!--
///////////////////////////////////////////////////////////////////////////////////////
//
// Classes
//
///////////////////////////////////////////////////////////////////////////////////////
-->
<!-- http://nmrML.org/nmrCV#NMR:1000000 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000000">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000336"/>
<dc:coverage>For 1r/1i spectra and for Bruker, this term describe an array of integers (32bits).</dc:coverage>
<rdfs:label xml:lang="en">integer32</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000001 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000001">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000548"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A reference number relevant to the sample under study.</obo:IAO_0000115>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value-type:xsd:string</oboInOwl:hasDbXref>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000001</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">sample number</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000001"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">A reference number relevant to the sample under study.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000001"/>
<owl:annotatedProperty rdf:resource="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value-type:xsd:string</owl:annotatedTarget>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The allowed value-type for this CV term.</rdfs:label>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000002 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000002">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000336"/>
<dc:coverage>For 1r/1i spectra and for Bruker, this term describe an array of longs (64bits).</dc:coverage>
<rdfs:label xml:lang="en">long64</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000003 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000003">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000548"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The chemical phase of a pure sample, or the state of a mixed sample.</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000003</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">sample state information</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000003"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The chemical phase of a pure sample, or the state of a mixed sample.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000004 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000004">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000548"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Total mass of sample used.</obo:IAO_0000115>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value-type:xsd:float</oboInOwl:hasDbXref>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000004</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">sample mass information</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000004"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Total mass of sample used.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000004"/>
<owl:annotatedProperty rdf:resource="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value-type:xsd:float</owl:annotatedTarget>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The allowed value-type for this CV term.</rdfs:label>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000005 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000005">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000548"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Total volume of solution used.</obo:IAO_0000115>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value-type:xsd:float</oboInOwl:hasDbXref>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000005</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">sample volume</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000005"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Total volume of solution used.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000005"/>
<owl:annotatedProperty rdf:resource="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value-type:xsd:float</owl:annotatedTarget>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The allowed value-type for this CV term.</rdfs:label>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000006 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000006">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000548"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used.</obo:IAO_0000115>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value-type:xsd:float</oboInOwl:hasDbXref>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000006</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">sample concentration</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000006"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000006"/>
<owl:annotatedProperty rdf:resource="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value-type:xsd:float</owl:annotatedTarget>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The allowed value-type for this CV term.</rdfs:label>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000008 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000008">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400042"/>
<rdfs:comment>One of the problems that should be apparent after observing the spectrum and the FID is that it is not possible
to determine if the frequency is positive or negative. The instrument uses a spectrometer
frequency and all signal frequencies are measured relative to the spectrometer frequency. If a molecule
produces two signals, one at 300,000,001 Hz and another at 299,999,999 Hz, and the spectrometer frequency
is 300,000,000 Hz, the first signal is at +1 Hz and the second is at -1 Hz. Electronically the lower frequency
signals are very easy frequency to detect, transmit, amplify and sample.
The complication with this rotating frame of reference is that a single detector can not distinguish positive and
negative frequencies. This problem is why quadrature detection is important. Quadrature detection uses two detector channels
separated by 90 degrees. These are referred to as the real channel and the imaginary channel. Using these
two channels, it is possible to distinguish positive and negative frequencies. This section shows how the
quadrature signal is processed to obtain an NMR spectrum.
The Fourier transform produces a complex number with a real and an imaginary component. The Re function
extracts the real spectrum and the Im function extracts the imaginary spectrum from the complex number.</rdfs:comment>
<rdfs:label xml:lang="en">quadrature detection</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000010 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000010">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000585"/>
<rdfs:label xml:lang="en">contact role</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000011 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000011">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/BFO_0000031"/>
<rdfs:label xml:lang="en">data file attribute</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000012 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000012">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000496"/>
<rdfs:label xml:lang="en">NMR instrument type</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000013 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000013">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000172"/>
<rdfs:label xml:lang="en">1D spectrum coordinate system descriptor</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000014 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000014">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400063"/>
<rdfs:label xml:lang="en">pre-acquisition solvent suppression</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000015 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000015">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400038"/>
<rdfs:label xml:lang="en">peak processing</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000016 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000016">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000167"/>
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000330"/>
<rdfs:label xml:lang="en">Hexafluorobenzene</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000017 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000017">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000330"/>
<oboInOwl:hasExactSynonym>CDCl3</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">Chloroform-d</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000018 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000018">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000330"/>
<oboInOwl:consider>CHEBI:41981</oboInOwl:consider>
<oboInOwl:hasExactSynonym>D2O</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">heavy water</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000019 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000019">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002011"/>
<rdfs:label xml:lang="en">sample pH</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000020 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000020">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002011"/>
<rdfs:label xml:lang="en">post buffer pH</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000021 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000021">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400041"/>
<obo:IAO_0000117>Philippe Rocca-Serra</obo:IAO_0000117>
<obo:IAO_0000119>http://www.scs.illinois.edu/nmr/handouts/general_pdf/ugi034.pdf</obo:IAO_0000119>
<rdfs:label>apodization</rdfs:label>
<skos:definition>Apodization is an umbrella term that is used to refer to signal processing covering the manipulation of the FID to either increase signal-to-noise (S/N) or resolution. it is usually possible to gain either S/N or resolution, but not both.
Apodization is usually performed by applying a window function to the FID</skos:definition>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000022 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000022">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000878"/>
<dc:source>http://www.metabolomicssociety.org/databases</dc:source>
<rdfs:comment xml:lang="en">PRS: rename &apos;reference&apos; to &apos;identifier&apos;</rdfs:comment>
<rdfs:label xml:lang="en">metabolomics database identifier</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000023 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000023">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000022"/>
<rdfs:label xml:lang="en">Metabolights identifier</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000024 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000024">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000026"/>
<rdfs:label xml:lang="en">acetonitrile</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000025 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000025">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000026"/>
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000030"/>
<rdfs:label xml:lang="en">1,4-Dioxane</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000026 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000026">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400033"/>
<rdfs:label xml:lang="en">1H spectrum reference compound</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000027 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000027">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000026"/>
<oboInOwl:hasExactSynonym>DSS</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">2,2-Dimethyl-2-silapentane-5-sulfonate</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000028 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000028">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000026"/>
<rdfs:label xml:lang="en">sodium acetate</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000029 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000029">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000026"/>
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000030"/>
<oboInOwl:hasExactSynonym>TMS</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">tetramethylsilane</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000030 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000030">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400033"/>
<rdfs:label xml:lang="en">13C spectrum reference compound</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000031 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000031">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000496"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Instrument model name not including the vendor&apos;s name.</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000031</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR instrument model</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000031"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Instrument model name not including the vendor&apos;s name.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000032 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000032">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000496"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Free text description of a single customization made to the instrument; for several modifications, use several entries.</obo:IAO_0000115>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value-type:xsd:string</oboInOwl:hasDbXref>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000032</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">instrument customization</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000032"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Free text description of a single customization made to the instrument; for several modifications, use several entries.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000032"/>
<owl:annotatedProperty rdf:resource="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value-type:xsd:string</owl:annotatedTarget>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The allowed value-type for this CV term.</rdfs:label>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000033 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000033">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000030"/>
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000431"/>
<rdfs:label xml:lang="en">Chloroform-d1</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000034 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000034">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400117"/>
<rdfs:label>keyword</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000035 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000035">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000030"/>
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000036"/>
<rdfs:label xml:lang="en">tetramethylammonium bromide</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000036 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000036">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400033"/>
<rdfs:label xml:lang="en">15N spectrum reference compound</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000037 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000037">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000036"/>
<rdfs:label xml:lang="en">ammonia (liquid)</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000038 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000038">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000036"/>
<rdfs:label xml:lang="en">ammonium bromide</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000039 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000039">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000036"/>
<rdfs:label xml:lang="en">1,4-morpholine</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000040 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000040">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000036"/>
<rdfs:label xml:lang="en">nitromethane</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000041 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000041">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000036"/>
<rdfs:label xml:lang="en">pyridine</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000042 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000042">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000036"/>
<rdfs:label xml:lang="en">sodium nitrate</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000043 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000043">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400073"/>
<oboInOwl:hasExactSynonym>solvent filtering</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">post-acquisition solvent suppression</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000044 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000044">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1001954"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Nuclear magnetic resonance decoupling (NMR decoupling for short) is a special method used in nuclear magnetic resonance (NMR) spectroscopy where a sample to be analyzed is irradiated at a certain frequency or frequency range to eliminate fully or partially the effect of coupling between certain nuclei. NMR coupling refers to the effect of nuclei on each other in atoms within a couple of bonds distance of each other in molecules. This effect causes NMR signals in a spectrum to be split into multiple peaks which are up to several hertz frequency from each other. Decoupling fully or partially eliminates splitting of the signal between the nuclei irradiated and other nuclei such as the nuclei being analyzed in a certain spectrum. NMR spectroscopy and sometimes decoupling can help determine structures of chemical compounds.</obo:IAO_0000115>
<dc:source>http://en.wikipedia.org/wiki/Nuclear_magnetic_resonance_decoupling</dc:source>
<rdfs:label xml:lang="en">decoupling method</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000045 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000045">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000044"/>
<rdfs:label xml:lang="en">homonuclear decoupling</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000046 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000046">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000044"/>
<rdfs:label xml:lang="en">heteronuclear decoupling</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000047 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000047">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000049"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">State if the sample is in emulsion form.</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000047</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">emulsion</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000047"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">State if the sample is in emulsion form.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000048 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000048">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000003"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">State if the sample is in gaseous form.</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000048</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">gas</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000048"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">State if the sample is in gaseous form.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000049 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000049">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000003"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">State if the sample is in liquid form.</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000049</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">liquid</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000049"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">State if the sample is in liquid form.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000050 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000050">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000003"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">State if the sample is in solid form.</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000050</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">solid</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000050"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">State if the sample is in solid form.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000051 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000051">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000049"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">State if the sample is in solution form.</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000051</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">solution</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000051"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">State if the sample is in solution form.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000052 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000052">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000049"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">State if the sample is in suspension form.</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000052</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">suspension</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000052"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">State if the sample is in suspension form.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000053 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000053">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000548"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Sample batch lot identifier.</obo:IAO_0000115>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value-type:xsd:string</oboInOwl:hasDbXref>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000053</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">sample batch information</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000053"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Sample batch lot identifier.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000053"/>
<owl:annotatedProperty rdf:resource="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">value-type:xsd:string</owl:annotatedTarget>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">The allowed value-type for this CV term.</rdfs:label>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000054 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000054">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000044"/>
<rdfs:label xml:lang="en">broad band decoupling</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000055 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000055">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000044"/>
<rdfs:label xml:lang="en">off resonance decoupling</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000056 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000056">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000044"/>
<oboInOwl:hasExactSynonym>band-selective decoupling</oboInOwl:hasExactSynonym>
<oboInOwl:hasExactSynonym>narowband decoupling</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">specific decoupling</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000057 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000057">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400096"/>
<rdfs:label xml:lang="en">angle of sinusoid</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000058 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000058">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400033"/>
<rdfs:label xml:lang="en">31P spectrum reference compound</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000059 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000059">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000058"/>
<oboInOwl:hasExactSynonym>H3PO4</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">phosphoric acid</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000060 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000060">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000058"/>
<oboInOwl:hasExactSynonym>P4</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">phosphorus</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000061 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000061">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000058"/>
<oboInOwl:hasExactSynonym>(CH3O)3PO</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">trimethyl phosphate</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000062 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000062">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000058"/>
<oboInOwl:hasExactSynonym>P(C6H5)3</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">triphenylphosphine</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000063 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000063">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000058"/>
<oboInOwl:hasExactSynonym>O=P(C6H5)3</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">triphenylphosphine oxide</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000064 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000064">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002013"/>
<rdfs:label xml:lang="en">co-dissolved internal reference</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000065 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000065">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002013"/>
<rdfs:label xml:lang="en">synthetic reference signal</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000066 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000066">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002013"/>
<rdfs:label xml:lang="en">residual solvent signal</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000067 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000067">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400041"/>
<rdfs:label xml:lang="en">FID zero filling</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000068 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000068">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000067"/>
<rdfs:label xml:lang="en">data extrapolation using linear prediction</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000069 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000069">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400041"/>
<rdfs:label xml:lang="en">multiplying FID by window function</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000070 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000070">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400041"/>
<rdfs:label xml:lang="en">FID fourier transformation</rdfs:label>
<skos:definition>The mathematical conversion of time-resolved FID raw data into frequency resolved NMR spectra (frequency-resolved NMR data) by means of fourier transformation of coordinate systems.</skos:definition>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000071 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000071">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400038"/>
<oboInOwl:hasExactSynonym>phasing</oboInOwl:hasExactSynonym>
<oboInOwl:hasExactSynonym>spectral phasing</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">phase correction</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000072 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000072">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000015"/>
<rdfs:label xml:lang="en">peak integration</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000073 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000073">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000015"/>
<rdfs:label xml:lang="en">peak alignment</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000074 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000074">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000258"/>
<rdfs:label xml:lang="en">peak shape fitting</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000075 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000075">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400038"/>
<rdfs:label xml:lang="en">spectral referencing</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000077 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000077">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000030"/>
<dc:source>Pohl, L.; Eckle, M. (1969). &quot;Sodium 3-(trimethylsilyl)tetradeuteriopropionate, a new water-soluble standard for 1H.N.M.R.&quot;. Angewandte Chemie, International Edition in English 8 (5): 381. doi:10.1002/anie.196903811</dc:source>
<oboInOwl:hasExactSynonym>TMSP</oboInOwl:hasExactSynonym>
<oboInOwl:hasExactSynonym>trimethylsilyl propanoic acid</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">sodium trimethylsilyl-propionate</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000078 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000078">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000079"/>
<rdfs:comment>used to be &apos;linear scaling algorithm&apos;</rdfs:comment>
<rdfs:label xml:lang="en">linear scaling</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000079 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000079">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400038"/>
<rdfs:comment>used to be called &apos;scaling algorithm&apos;</rdfs:comment>
<rdfs:label xml:lang="en">scaling</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000080 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000080">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000079"/>
<rdfs:comment>used to be postfixed with algorithm</rdfs:comment>
<rdfs:label xml:lang="en">non-linear scaling</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000081 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000081">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000078"/>
<rdfs:label xml:lang="en">total spectral area scaling</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000082 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000082">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000078"/>
<dc:source>Dieterle F, Ross A, Schlotterbeck G, Senn H: Probabilistic quotient normalization as robust method to account for dilution of complex biological mixtures. Application in 1H NMR metabonomics. Anal Chem 2006, 78(13):4281-90.</dc:source>
<rdfs:label xml:lang="en">probabilistic quotient normalization</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000083 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000083">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000080"/>
<oboInOwl:hasExactSynonym>glog scaling</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">scaling by generalized logarithmic transformation</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000084 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000084">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000080"/>
<rdfs:label xml:lang="en">pareto scaling</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000085 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000085">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000080"/>
<rdfs:label xml:lang="en">autoscaling</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000086 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000086">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002007"/>
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400162"/>
<oboInOwl:hasExactSynonym>JRES spectrum</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">2D J-resolved spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000087 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000087">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<dc:source>http://www.biomedcentral.com/1471-2105/12/366#B2</dc:source>
<rdfs:label xml:lang="en">MetaboLab software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000088 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000088">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<rdfs:label xml:lang="en">Metaboquant software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000089 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000089">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<rdfs:label xml:lang="en">rNMR software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000090 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000090">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">open source NMR software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000091 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000091">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">commercial NMR software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000092 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000092">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<dc:source>Günther U, Ludwig C, Rüterjans H: NMRLAB - advanced NMR data processing in Matlab., J Magn Reson 2000, 145(2):201-208.</dc:source>
<rdfs:label xml:lang="en">NMRLab software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000093 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000093">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<dc:source>Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR 1995, 6(3):277-293.</dc:source>
<rdfs:label xml:lang="en">NMRPipe software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000094 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000094">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<dc:source>van Beek JD: matNMR: a flexible toolbox for processing, analyzing and visualizing magnetic resonance data in Matlab. J Magn Reson 2007, 187:19-26. </dc:source>
<rdfs:label xml:lang="en">matNMR software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000095 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000095">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000861"/>
<rdfs:label xml:lang="en">concentration of chemical compound</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000096 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000096">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000071"/>
<rdfs:label xml:lang="en">manual phase correction</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000097 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000097">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000071"/>
<rdfs:label xml:lang="en">automatic phase correction</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000098 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000098">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000071"/>
<rdfs:label xml:lang="en">DC offset correction</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000099 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000099">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400038"/>
<dc:source>http://bmcbioinformatics.biomedcentral.com/articles/10.1186/1471-2105-12-366</dc:source>
<rdfs:label xml:lang="en">Gibbs multiplication</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000100 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000100">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400075"/>
<rdfs:label xml:lang="en">skyline projection</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000101 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000101">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400071"/>
<oboInOwl:hasExactSynonym>shifted sine apodization</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">shifted sine window function</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000102 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000102">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400068"/>
<oboInOwl:hasExactSynonym>SINC</oboInOwl:hasExactSynonym>
<oboInOwl:hasExactSynonym>Sinc window multiplication</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">sinc window multiplication of FID (1D)</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000103 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000103">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400068"/>
<dc:source>http://www.sciencedirect.com/science/article/pii/S0003267008000950</dc:source>
<doap:bug-database>https://github.com/nmrML/nmrML/issues/36</doap:bug-database>
<oboInOwl:hasExactSynonym>combined sine-bell–exponential window function</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">SEM window function</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000104 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000104">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400068"/>
<oboInOwl:hasExactSynonym>TRAP</oboInOwl:hasExactSynonym>
<oboInOwl:hasExactSynonym>trapezoid apodization</oboInOwl:hasExactSynonym>
<rdfs:comment>Functional form ( 0:t1 linear increase from 0.0 to 1.0, t1:size-t2 1.0
-t2: linear decrease from 1.0 to 0.0 / Parameters ( * data Array of spectral data., * t1 Left ramp length., * t2 Right ramp length., * inv Set True for inverse apodization.</rdfs:comment>
<rdfs:label xml:lang="en">trapezoid window function</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000105 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000105">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400070"/>
<rdfs:label xml:lang="en">shifted gaussian window function</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000106 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000106">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400074"/>
<rdfs:label xml:lang="en">baseline correction using spline function</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000107 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000107">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400162"/>
<oboInOwl:hasExactSynonym>HSQC NMR spectrum</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">heteronuclear single quantum coherence spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000108 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000108">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400037"/>
<rdfs:label xml:lang="en">Zangger-Sterk pulse sequence</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000109 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000109">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000108"/>
<dc:source>http://nmr.chemistry.manchester.ac.uk/?q=node/256</dc:source>
<rdfs:label xml:lang="en">pure shift 1D Zangger-Sterk pulse sequence</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000110 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000110">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400037"/>
<dc:source>http://nmr.chemistry.manchester.ac.uk/?q=node/264</dc:source>
<rdfs:label xml:lang="en">oneshot pulse sequence</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000111 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000111">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000110"/>
<dc:source>http://nmr.chemistry.manchester.ac.uk/?q=node/265</dc:source>
<rdfs:label xml:lang="en">pure shift oneshot pulse sequence</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000112 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000112">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400037"/>
<dc:source>http://nmr.chemistry.manchester.ac.uk/?q=node/285</dc:source>
<oboInOwl:hasExactSynonym>PE Watergate pulse sequence</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">perfect echo watergate pulse sequence</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000113 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000113">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400285"/>
<rdfs:label xml:lang="en">NMR Star 3.1 file format</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000114 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000114">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400285"/>
<rdfs:label xml:lang="en">NMR Star 2.1 file format</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000115 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000115">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000117"/>
<oboInOwl:hasExactSynonym>three dimensional spectrum</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">3D spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000116 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000116">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000117"/>
<oboInOwl:hasExactSynonym>four dimensional spectrum</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">4D spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000117 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000117">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002007"/>
<rdfs:label xml:lang="en">NMR spectrum by dimensionality</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000120 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000120">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002007"/>
<rdfs:label xml:lang="en">homonuclear chemical shift spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000121 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000121">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002007"/>
<rdfs:label xml:lang="en">heteronuclear chemical shift spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000122 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000122">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000031"/>
<obo:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Bruker instrument model.</obo:IAO_0000115>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000122</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Bruker instrument model</rdfs:label>
</owl:Class>
<owl:Axiom>
<owl:annotatedSource rdf:resource="http://nmrML.org/nmrCV#NMR:1000122"/>
<owl:annotatedProperty rdf:resource="http://purl.obolibrary.org/obo/IAO_0000115"/>
<owl:annotatedTarget rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Bruker instrument model.</owl:annotatedTarget>
<oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MSI:NMR</oboInOwl:hasDbXref>
</owl:Axiom>
<!-- http://nmrML.org/nmrCV#NMR:1000123 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000123">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002007"/>
<rdfs:label xml:lang="en">homonuclear exchange spectroscopy spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000124 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000124">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002007"/>
<rdfs:label xml:lang="en">heteronuclear exchange spectroscopy spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000128 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000128">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000086"/>
<rdfs:label xml:lang="en">homonuclear J-resolved spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000129 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000129">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000086"/>
<rdfs:label xml:lang="en">heteronuclear J-resolved spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000130 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000130">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000200"/>
<rdfs:label xml:lang="en">calibration test spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000131 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000131">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<rdfs:label xml:lang="en">NMR star software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000132 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000132">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000091"/>
<dc:source>http://www.felixnmr.com/</dc:source>
<rdfs:label xml:lang="en">Felix software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000133 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000133">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">PIPP software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000134 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000134">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">TALOS+ software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000135 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000135">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<dc:source>http://www.cyana.org/wiki/index.php/Main_Page</dc:source>
<rdfs:label xml:lang="en">CYANA software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000136 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000136">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<dc:source>http://nmr.cit.nih.gov/xplor-nih/</dc:source>
<rdfs:label xml:lang="en">XPLOR-NIH software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000137 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000137">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000095"/>
<rdfs:label xml:lang="en">computed concentration</rdfs:label>
<skos:editorialNote>request these in UO ?</skos:editorialNote>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000138 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000138">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<dc:source>http://www.bpc.uni-frankfurt.de/guentert/wiki/index.php/XEASY</dc:source>
<rdfs:label xml:lang="en">XEASY software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000139 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000139">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<rdfs:label xml:lang="en">sparky software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000140 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000140">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<dc:source>http://nmr-software.blogspot.de/2007/04/cara.html</dc:source>
<rdfs:label xml:lang="en">CARA software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000141 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000141">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<rdfs:label xml:lang="en">Wattos software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000142 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000142">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">MADNMR software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000143 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000143">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">Pronto software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000144 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000144">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">TRIAD NMR software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000145 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000145">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000137"/>
<rdfs:label xml:lang="en">library based computed concentration</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000146 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000146">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000137"/>
<oboInOwl:hasExactSynonym>Lorenzian (-Integration) (Modeled Area) Estimated Concentration</oboInOwl:hasExactSynonym>
<rdfs:comment>https://docs.google.com/spreadsheets/d/1egsLQWoQuCxAYPr9MIo-F0A5K9RCbJSC8yWZyYq_fiQ/edit?usp=sharing</rdfs:comment>
<rdfs:label xml:lang="en">Lorenzian estimated concentration</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000147 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000147">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000137"/>
<oboInOwl:hasExactSynonym>Measured Area (Integration) based Concentration</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">measured area based concentration</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000148 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000148">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000137"/>
<rdfs:label xml:lang="en">time-domain amplitude computed concentration</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000149 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000149">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400041"/>
<rdfs:label xml:lang="en">group time delay compensation</rdfs:label>
<rdfs:seeAlso>http://nmr-analysis.blogspot.fr/2008/02/why-arent-bruker-fids-time-corrected.html</rdfs:seeAlso>
<skos:definition>This is independent of the bruker acquisition parameter named &quot;GRPDLY&quot; (Group Delay), but this is a &quot;shift&quot; applied on the fid to calibrate its zero</skos:definition>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000150 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000150">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000068"/>
<rdfs:label xml:lang="en">scaling by forward linear prediction</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000151 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000151">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000068"/>
<rdfs:label xml:lang="en">back calculation of first points by linear-prediction</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000152 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000152">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000068"/>
<rdfs:label xml:lang="en">scaling by mirror image linear prediction</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000153 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000153">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1001954"/>
<rdfs:label xml:lang="en">digital filtering</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000154 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000154">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000435"/>
<obo:IAO_0000119>Daniel Schober</obo:IAO_0000119>
<dc:source>http://jjhelmus.github.io/nmrglue/current/jbnmr_examples/s11_strip_plots.html</dc:source>
<rdfs:label xml:lang="en">3D strip plot generation</rdfs:label>
<skos:definition>A spectrum vizualization method for 3D nmr spectra, assisting assignments for large sequential molecules, i.e. Proteins.
The first two axis in the plot represent the ppms along the two acquisition nuclei, and a third dimension captures the sequential molecule order for the third nucleus.</skos:definition>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000155 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000155">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<rdfs:label xml:lang="en">Batman software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000156 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000156">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000031"/>
<rdfs:label xml:lang="en">JEOL instrument model</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000157 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000157">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000031"/>
<rdfs:label xml:lang="en">tecmag instrument model</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000158 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000158">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400074"/>
<dc:source>Bao et al. (2013) A new automatic baseline correction method based on iterative method, J. Magn. Res. 218:35-43</dc:source>
<dc:source>Golotvin &amp; Williams (2000), Improved baseline recognition and modeling of FT NMR spectra, J. Magn. Res. 146:122-125</dc:source>
<rdfs:label xml:lang="en">automatic baseline recognition</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000159 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000159">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000026"/>
<oboInOwl:hasExactSynonym>TSP</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">Trimethylsilyl propionate</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000160 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000160">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400037"/>
<oboInOwl:hasExactSynonym>pulse sequence from Wishart lab library</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">TMIC lab pulse sequence</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000161 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000161">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400027"/>
<rdfs:label xml:lang="en">probe gradient strength</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000162 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000162">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<dc:coverage>e.g. Linux or Windows, ...</dc:coverage>
<rdfs:label xml:lang="en">NMR acquisition computer operating system</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000163 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000163">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<dc:coverage>e.g. Bruker Biospin ICON-NMR</dc:coverage>
<rdfs:label xml:lang="en">NMR autosampler software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000164 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000164">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000163"/>
<rdfs:label xml:lang="en">Bruker Biospin ICON-NMR software</rdfs:label>
<rdfs:seeAlso>http://www.bruker.com/products/mr/nmr/nmr-software/software/iconnmr/overview.html</rdfs:seeAlso>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000165 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000165">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002011"/>
<rdfs:label xml:lang="en">buffer pH</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000166 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000166">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000548"/>
<dc:coverage>e.g. heavy water (D2O)</dc:coverage>
<oboInOwl:hasExactSynonym>lock frequency</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">field frequency lock</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000167 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000167">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400032"/>
<oboInOwl:hasExactSynonym>quantitation standard</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">concentration standard</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000168 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000168">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">NMR acquisition software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000169 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000169">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000900"/>
<rdfs:label xml:lang="en">CIMR MI standard</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000170 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000170">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400116"/>
<rdfs:label xml:lang="en">signal line width check</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000171 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000171">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000170"/>
<rdfs:label xml:lang="en">signal line width at five percent intensity check</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000172 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000172">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/BFO_0000031"/>
<rdfs:label xml:lang="en">NMR spectrum descriptor</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000173 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000173">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000190"/>
<rdfs:label xml:lang="en">pulse width</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000174 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000174">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000173"/>
<rdfs:label xml:lang="en">hard pulse width</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000175 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000175">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1001954"/>
<oboInOwl:hasExactSynonym>spectrum width</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">sweep width</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000176 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000176">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000013"/>
<oboInOwl:hasExactSynonym>number of data points in spectrum</oboInOwl:hasExactSynonym>
<oboInOwl:hasExactSynonym>number of first dimension data points</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">number of data points</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000177 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000177">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000013"/>
<obo:IAO_0000115>tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum.</obo:IAO_0000115>
<rdfs:label xml:lang="en">x end value</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000178 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000178">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000013"/>
<rdfs:label xml:lang="en">y-axis type</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000179 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000179">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002014"/>
<oboInOwl:hasExactSynonym>bucket x center</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">center of bin on x-axis</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000180 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000180">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002014"/>
<oboInOwl:hasExactSynonym>NMR spectrum quantification method</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">spectral quantitation algorithm</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000181 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000181">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<obo:IAO_0000115 xml:lang="en">The NMRProcFlow open source software provides a complete set of tools for processing (e.g. Bucketing) and visualization of 1D NMR data, the whole within an interactive interface based on a spectra visualization.</obo:IAO_0000115>
<rdfs:label xml:lang="en">NMRProcFlow software</rdfs:label>
<foaf:homepage xml:lang="en">http://www.nmrprocflow.org/</foaf:homepage>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000182 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000182">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000090"/>
<obo:IAO_0000115 xml:lang="en">Bayesil is a web system that automatically identifies and quantifies metabolites using 1D 1H NMR spectra of ultra-filtered plasma, serum or cerebrospinal fluid. The NMR spectra must be collected in a standardized fashion for Bayesil to perform optimally. Bayesil first performs all spectral processing steps, including Fourier transformation, phasing, solvent filtering, chemical shift referencing, baseline correction and reference line shape convolution automatically. It then deconvolutes the resulting NMR spectrum using a reference spectral library, which here contains the signatures of more than 60 metabolites. This deconvolution process determines both the identity and quantity of the compounds in the biofluid mixture.</obo:IAO_0000115>
<dc:source>Ravanbakhsh S, Liu P, Bjorndahl TC, Mandal R, Grant JR, Wilson M, Eisner R, Sinelnikov I, Hu X, Luchinat C, Greiner R, Wishart DS. (2015) Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics. PLoS ONE 10(5): e0124219.</dc:source>
<rdfs:label xml:lang="en">Bayesil software</rdfs:label>
<foaf:homepage>http://bayesil.ca/</foaf:homepage>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000183 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000183">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000182"/>
<obo:IAO_0000115 xml:lang="en">nmrML-Assign is a web server for creating an nmrML file from a FID and a structure. The FID is first automatically processed with Bayesil. The resulting interactive spectrum allows assigning peaks to specific atoms in the structure and the assignments are saved in the nmrML format. For more information about nmrML please visit nmrML.org. nmrML-Assign works with 1H and 13C NMR spectra in Bruker or Agilent/Varian format.</obo:IAO_0000115>
<rdfs:comment xml:lang="en">Uses JspectraView Software</rdfs:comment>
<rdfs:label xml:lang="en">nmrML Assign</rdfs:label>
<foaf:homepage xml:lang="en">http://nmrml.bayesil.ca/</foaf:homepage>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000184 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000184">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400006"/>
<oboInOwl:hasExactSynonym>d</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">doublet feature</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000185 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000185">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400006"/>
<oboInOwl:hasExactSynonym>t</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">triplet feature</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000186 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000186">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400006"/>
<oboInOwl:hasExactSynonym>q</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">quatruplet feature</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000188 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000188">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000524"/>
<obo:IAO_0000115>a set of peaks that are highly correlated in a series of samples</obo:IAO_0000115>
<dc:coverage>a feature request by Daniel Jacob inserted at IBP hackathon</dc:coverage>
<rdfs:label xml:lang="en">cluster of peaks across samples</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000189 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000189">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000200"/>
<rdfs:label xml:lang="en">simulated spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000190 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000190">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400101"/>
<rdfs:label xml:lang="en">pulse parameter</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000191 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000191">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000767"/>
<rdfs:label xml:lang="en">JEOL FID format</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000192 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000192">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400006"/>
<oboInOwl:hasExactSynonym>dd</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">doublet of doublets feature</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000193 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000193">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400305"/>
<rdfs:label xml:lang="en">ABX multiplet pattern</rdfs:label>
<skos:definition>AMX, ABX and ABC patterns, and various related spin systems are very common in Proton NMR of organic molecules.When two of the protons of an AMX pattern approach each other to form an ABX pattern, the characteristic changes in intensities of a strongly coupled system (leaning) are seen, and, as the size of J approaches the value of νAB more complicated changes arise, so that the pattern can no longer be analyzed correctly by first order methods.</skos:definition>
<foaf:homepage>http://www.chem.wisc.edu/areas/reich/nmr/05-hmr-12-abx.htm</foaf:homepage>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000194 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000194">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400006"/>
<oboInOwl:hasExactSynonym>s</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">singlet feature</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000195 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000195">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400006"/>
<oboInOwl:hasExactSynonym>qi</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">quintet feature</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000196 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000196">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400006"/>
<oboInOwl:hasExactSynonym>dt</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">doublet of triplets</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000197 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000197">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400006"/>
<oboInOwl:hasExactSynonym>td</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">triplet of douplets</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000198 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000198">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400006"/>
<oboInOwl:hasExactSynonym>tt</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">triplet of triplets</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000199 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000199">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002007"/>
<rdfs:label xml:lang="en">NMR spectrum by pulse sequence</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000200 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000200">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002007"/>
<rdfs:label xml:lang="en">NMR spectrum by processing step</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000201 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000201">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000172"/>
<rdfs:label xml:lang="en">2D spectrum coordinate system descriptor</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000202 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000202">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000201"/>
<rdfs:label xml:lang="en">y-axis value type</rdfs:label>
<rdfs:seeAlso>the subclasses come from the Rubtsov specification</rdfs:seeAlso>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000203 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000203">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000202"/>
<rdfs:label xml:lang="en">power value type</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000204 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000204">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000202"/>
<rdfs:label xml:lang="en">magnitude value type</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000205 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000205">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000202"/>
<rdfs:label xml:lang="en">real value type</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000206 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000206">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000202"/>
<rdfs:label xml:lang="en">imaginary value type</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000207 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000207">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000202"/>
<rdfs:label xml:lang="en">complex value types</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000208 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000208">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000172"/>
<rdfs:label xml:lang="en">spectral projection axis</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000209 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000209">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000208"/>
<rdfs:label xml:lang="en">f1 axis</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000210 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000210">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000208"/>
<rdfs:label xml:lang="en">f2 axis</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000211 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000211">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">NMR Format converter</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000212 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000212">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000022"/>
<rdfs:label xml:lang="en">BML-NMR identifier</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000214 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000214">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000167"/>
<rdfs:comment>will be further specified via a concentration value</rdfs:comment>
<rdfs:label xml:lang="en">creatinine</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000220 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000220">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400037"/>
<rdfs:label xml:lang="en">2D pulse sequence</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000221 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000221">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400063"/>
<rdfs:comment>used to be labeled &apos;NMR spectrum simulation&apos;</rdfs:comment>
<rdfs:label xml:lang="en">data simulation</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000222 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000222">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000012"/>
<oboInOwl:hasExactSynonym>DNP NMR</oboInOwl:hasExactSynonym>
<oboInOwl:hasExactSynonym>dynamic nuclear polarization enhanced NMR system</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">dynamic nuclear polarization NMR</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000223 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000223">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000172"/>
<obo:IAO_0000115>Chemical shift is the resonance frequency of a nucleus related to a chemical shift standard. in ppm along x-axis</obo:IAO_0000115>
<dc:source>http://en.wikipedia.org/wiki/Chemical_shift</dc:source>
<rdfs:label xml:lang="en">chemical shift</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000224 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000224">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000172"/>
<obo:IAO_0000115>an information object that describes the strength of the NMR signal</obo:IAO_0000115>
<rdfs:label xml:lang="en">nmr signal intensity</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000225 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000225">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400074"/>
<rdfs:label xml:lang="en">baseline correction using polynomial function</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000226 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000226">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000220"/>
<rdfs:label xml:lang="en">first transient of the tnnoesy-presaturation pulse sequence</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000227 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000227">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002006"/>
<rdfs:label xml:lang="en">Varian acquisition parameter file</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000228 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000228">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000252"/>
<rdfs:label xml:lang="en">procpar</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000229 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000229">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000230"/>
<rdfs:label xml:lang="en">acqus</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000230 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000230">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002006"/>
<rdfs:label xml:lang="en">Bruker acquisition parameter file</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000231 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000231">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000172"/>
<oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR</oboInOwl:hasOBONamespace>
<oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NMR:1000231</oboInOwl:id>
<rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">peak feature</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000232 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000232">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000227"/>
<rdfs:label xml:lang="en">global</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000233 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000233">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400002"/>
<rdfs:label xml:lang="en">Varian autosampler</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000234 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000234">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000233"/>
<rdfs:label xml:lang="en">Varian SMS 50</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000235 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000235">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400014"/>
<rdfs:label xml:lang="en">Varian probe</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000236 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000236">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000237"/>
<rdfs:label xml:lang="en">5mm HCN probe</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000237 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000237">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000235"/>
<rdfs:label xml:lang="en">Varian liquid cold probe</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000238 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000238">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1002007"/>
<rdfs:comment>e.g as in HMDB</rdfs:comment>
<rdfs:label xml:lang="en">reference compound NMR spectrum</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000239 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000239">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">Mestrelab software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000240 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000240">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">ACD spectrus software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000241 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000241">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">Mat NMR 3 software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000242 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000242">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000531"/>
<rdfs:label xml:lang="en">NMRLab software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000243 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000243">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000531"/>
<rdfs:label xml:lang="en">Spinworks NMR software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000244 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000244">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1001267"/>
<rdfs:label xml:lang="en">NMR software vendor</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000245 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000245">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000244"/>
<rdfs:label xml:lang="en">Spinworks</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000246 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000246">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">iNMR software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000247 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000247">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">NMR pipe</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000248 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000248">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400213"/>
<rdfs:label xml:lang="en">cule NMR software</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000249 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000249">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000211"/>
<dc:source xml:lang="en">Git: nmrML\tools\Parser_and_Converters\Matlab</dc:source>
<rdfs:comment xml:lang="en">By Batman/ Tim Ebbels Group</rdfs:comment>
<rdfs:label xml:lang="en">Matlab to nmrML converter</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000250 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000250">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400123"/>
<rdfs:label xml:lang="en">Bruker processing parameter file</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000251 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000251">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000250"/>
<rdfs:label xml:lang="en">procs</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000252 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000252">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400123"/>
<rdfs:label xml:lang="en">Varian processing parameter file</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000253 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000253">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000022"/>
<dc:source>http://mmcd.nmrfam.wisc.edu/</dc:source>
<rdfs:comment xml:lang="en">PRS: rename &apos;identifyer&apos; to &apos;identifier&apos;</rdfs:comment>
<rdfs:label xml:lang="en">Madison Metabolomics Consortium Database MMCD identifier</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000254 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000254">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000022"/>
<dc:source>http://bigg.ucsd.edu/</dc:source>
<rdfs:label xml:lang="en">Bigg metabolomics database identifier</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000255 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000255">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400068"/>
<oboInOwl:hasExactSynonym>Lorentz-to-Gauss apodization</oboInOwl:hasExactSynonym>
<rdfs:comment>Functional form:
gm(x_i) = exp(e - g*g)
Where: e = pi*i*g1
g = 0.6*pi*g2*(g3*(size-1)-i)
Parameters:
* data Array of spectral data.
* g1 Inverse exponential width.
* g2 Gaussian broaden width.
* g3 Location of gauss maximum.
* inv Set True for inverse apodization.</rdfs:comment>
<rdfs:label xml:lang="en">Lorentz Gaussian window function</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000256 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000256">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400068"/>
<oboInOwl:hasExactSynonym>TRAF</oboInOwl:hasExactSynonym>
<oboInOwl:hasExactSynonym>Transform of Reverse Added FIDs</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">traf window function</rdfs:label>
<skos:definition>A Window function described by Daniel Traficante in their original paper.</skos:definition>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000257 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000257">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400068"/>
<oboInOwl:hasExactSynonym>TRAFS</oboInOwl:hasExactSynonym>
<rdfs:label xml:lang="en">trafs window function</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000258 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000258">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000015"/>
<rdfs:label xml:lang="en">peak fitting</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000259 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000259">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000015"/>
<rdfs:label xml:lang="en">peak assignment</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000260 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000260">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000015"/>
<rdfs:label xml:lang="en">deconvolution</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000261 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000261">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1400038"/>
<obo:IAO_0000115>A method of sorting multiple spectra by position of chemical shift peaks. This method is used in Batman and improves the fit for shifted/overlapped peaks.</obo:IAO_0000115>
<rdfs:label xml:lang="en">chemical shift sorting</rdfs:label>
</owl:Class>
<!-- http://nmrML.org/nmrCV#NMR:1000262 -->
<owl:Class rdf:about="http://nmrML.org/nmrCV#NMR:1000262">
<rdfs:subClassOf rdf:resource="http://nmrML.org/nmrCV#NMR:1000264"/>
<rdfs:label xml:lang="en">fid file</rdfs:label>
</owl:Class>