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Annotations
Attributes
Diagrams
Instances
Model
Properties
Source
Used by
Main schema nmrML.xsd
Namespace http://nmrml.org/schema
Properties
attribute form default unqualified
element form default qualified
version 1.0.rc1
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element nmrML
Namespace http://nmrml.org/schema
Annotations
 
This is the root element for the COordination Of Standards In MetabOlomicS
nmrML schema, which is intended to capture the use of a nuclear magnetic resonance
spectrometer, the data generated, and the initial processing of that data (to the level of
the peak list).
Diagram
Diagram NO_NAMESPACE.tmp#nmrMLType_version NO_NAMESPACE.tmp#nmrMLType_accession NO_NAMESPACE.tmp#nmrMLType_accession_url NO_NAMESPACE.tmp#nmrMLType_id schema.tmp#nmrMLType_cvList schema.tmp#nmrMLType_fileDescription schema.tmp#nmrMLType_contactList schema.tmp#nmrMLType_referenceableParamGroupList schema.tmp#nmrMLType_sourceFileList schema.tmp#nmrMLType_softwareList schema.tmp#nmrMLType_instrumentConfigurationList schema.tmp#nmrMLType_sampleList schema.tmp#nmrMLType_acquisition schema.tmp#nmrMLType_spectrumList schema.tmp#nmrMLType_spectrumAnnotationList schema.tmp#nmrMLType
Type nmrMLType
Properties
content complex
Model
Children acquisition, contactList, cvList, fileDescription, instrumentConfigurationList, referenceableParamGroupList, sampleList, softwareList, sourceFileList, spectrumAnnotationList, spectrumList
Instance
 
<nmrML accession="" accession_url="" id="" version="" xmlns="http://nmrml.org/schema">
  <cvList>{1,1}</cvList>
  <fileDescription>{1,1}</fileDescription>
  <contactList>{0,1}</contactList>
  <referenceableParamGroupList>{0,1}</referenceableParamGroupList>
  <sourceFileList>{0,1}</sourceFileList>
  <softwareList>{0,1}</softwareList>
  <instrumentConfigurationList>{1,1}</instrumentConfigurationList>
  <sampleList>{0,1}</sampleList>
  <acquisition>{1,1}</acquisition>
  <spectrumList>{0,1}</spectrumList>
  <spectrumAnnotationList>{0,1}</spectrumAnnotationList>
</nmrML>
Attributes
QName Type Use Annotation
accession xs:string optional 
Optional accession number for the nmrML document. Used for storage (for
example MetaboLights)
accession_url xs:anyURI optional 
Optional attribute for retrieva of an nmrML document. Usefull when the
document has been retrieved from a public database.
id xs:string optional 
An optional ID for the nmrML document.
version xs:string required 
The nmrML version used to create the document.
Source
 
<xs:element name="nmrML" type="nmrMLType">
  <xs:annotation>
    <xs:documentation>This is the root element for the COordination Of Standards In MetabOlomicS nmrML schema, which is intended to capture the use of a nuclear magnetic resonance spectrometer, the data generated, and the initial processing of that data (to the level of the peak list).</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element nmrMLType / cvList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#CVListType_cv schema.tmp#CVListType
Type CVListType
Properties
content complex
Model
Children cv
Instance
 
<cvList xmlns="http://nmrml.org/schema">
  <cv fullName="" id="" URI="" version="">{1,unbounded}</cv>
</cvList>
Source
 
<xs:element name="cvList" type="dx:CVListType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element CVListType / cv
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVType_id NO_NAMESPACE.tmp#CVType_fullName NO_NAMESPACE.tmp#CVType_version NO_NAMESPACE.tmp#CVType_URI schema.tmp#CVType
Type CVType
Properties
content complex
maxOccurs unbounded
Attributes
QName Type Use Annotation
URI xs:anyURI required 
The URI for the resource.
fullName xs:string required 
The usual name for the resource (e.g. The MSI-NMR Controlled
Vocabulary).
id xs:ID required 
The short label to be used as a reference tag with which to refer to this
particular Controlled Vocabulary source description (e.g., from the cvLabel attribute, in
CVParamType elements).
version xs:string optional 
The version of the CV from which the referred-to terms are
drawn.
Source
 
<xs:element maxOccurs="unbounded" name="cv" type="dx:CVType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element nmrMLType / fileDescription
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#FileDescriptionType_fileContent schema.tmp#FileDescriptionType
Type FileDescriptionType
Properties
content complex
Model
Children fileContent
Instance
 
<fileDescription xmlns="http://nmrml.org/schema">
  <fileContent>{1,1}</fileContent>
</fileDescription>
Source
 
<xs:element name="fileDescription" type="FileDescriptionType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element FileDescriptionType / fileContent
Namespace http://nmrml.org/schema
Annotations
 
This summarizes the different types of spectra that can be expected in
the file. This is expected to aid processing software in skipping files that do not
contain appropriate spectrum types for it. It should also describe the nativeID format
used in the file by referring to an appropriate CV term.
Diagram
Diagram schema.tmp#ParamGroupType_referenceableParamGroupRef schema.tmp#ParamGroupType_cvParam schema.tmp#ParamGroupType_cvParamWithUnit schema.tmp#ParamGroupType_cvTerm schema.tmp#ParamGroupType_userParam schema.tmp#ParamGroupType
Type ParamGroupType
Properties
content complex
Model
Children cvParam, cvParamWithUnit, cvTerm, referenceableParamGroupRef, userParam
Instance
 
<fileContent xmlns="http://nmrml.org/schema">
  <referenceableParamGroupRef ref="">{0,unbounded}</referenceableParamGroupRef>
  <cvParam accession="" cvRef="" name="" value="">{0,unbounded}</cvParam>
  <cvParamWithUnit accession="" cvRef="" name="" unitAccession="" unitCvRef="" unitName="" value="">{0,unbounded}</cvParamWithUnit>
  <cvTerm accession="" cvRef="" name="">{0,unbounded}</cvTerm>
  <userParam name="" unitAccession="" unitCvRef="" unitName="" value="" valueType="">{0,unbounded}</userParam>
</fileContent>
Source
 
<xs:element name="fileContent" type="ParamGroupType">
  <xs:annotation>
    <xs:documentation>This summarizes the different types of spectra that can be expected in the file. This is expected to aid processing software in skipping files that do not contain appropriate spectrum types for it. It should also describe the nativeID format used in the file by referring to an appropriate CV term.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ParamGroupType / referenceableParamGroupRef
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ReferenceableParamGroupRefType_ref schema.tmp#ReferenceableParamGroupRefType
Type ReferenceableParamGroupRefType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use Annotation
ref xs:IDREF required 
Reference to the id attribute in a
referenceableParamGroup.
Source
 
<xs:element minOccurs="0" maxOccurs="unbounded" name="referenceableParamGroupRef" type="ReferenceableParamGroupRefType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ParamGroupType / cvParam
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVParamType_cvRef NO_NAMESPACE.tmp#CVParamType_accession NO_NAMESPACE.tmp#CVParamType_name NO_NAMESPACE.tmp#CVParamType_value schema.tmp#CVParamType
Type CVParamType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
value xs:string optional 
The value for the parameter; may be absent if not appropriate, or a
numeric or symbolic value, or may itself be CV (legal values for a parameter should be
enumerated and defined in the ontology).
Source
 
<xs:element minOccurs="0" maxOccurs="unbounded" name="cvParam" type="CVParamType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ParamGroupType / cvParamWithUnit
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVParamWithUnitType_cvRef NO_NAMESPACE.tmp#CVParamWithUnitType_accession NO_NAMESPACE.tmp#CVParamWithUnitType_name NO_NAMESPACE.tmp#CVParamWithUnitType_value NO_NAMESPACE.tmp#CVParamWithUnitType_unitCvRef NO_NAMESPACE.tmp#CVParamWithUnitType_unitAccession NO_NAMESPACE.tmp#CVParamWithUnitType_unitName schema.tmp#CVParamWithUnitType
Type CVParamWithUnitType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional 
The value for the parameter; may be absent if not appropriate, or a
numeric or symbolic value, or may itself be CV (legal values for a parameter should be
enumerated and defined in the ontology).
Source
 
<xs:element maxOccurs="unbounded" minOccurs="0" name="cvParamWithUnit" type="CVParamWithUnitType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ParamGroupType / cvTerm
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element maxOccurs="unbounded" minOccurs="0" name="cvTerm" type="CVTermType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ParamGroupType / userParam
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#UserParamType_name NO_NAMESPACE.tmp#UserParamType_valueType NO_NAMESPACE.tmp#UserParamType_value NO_NAMESPACE.tmp#UserParamType_unitAccession NO_NAMESPACE.tmp#UserParamType_unitName NO_NAMESPACE.tmp#UserParamType_unitCvRef schema.tmp#UserParamType
Type UserParamType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use Annotation
name xs:string required 
The name for the parameter.
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional 
The value for the parameter, where appropriate.
valueType xs:string optional 
The datatype of the parameter, where appropriate (e.g.:
xsd:float).
Source
 
<xs:element minOccurs="0" maxOccurs="unbounded" name="userParam" type="UserParamType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element nmrMLType / contactList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#ContactListType_contact schema.tmp#ContactListType
Type ContactListType
Properties
content complex
minOccurs 0
maxOccurs 1
Model
Children contact
Instance
 
<contactList xmlns="http://nmrml.org/schema">
  <contact address="" email="" fullname="" id="" organization="" url="">{1,unbounded}</contact>
</contactList>
Source
 
<xs:element maxOccurs="1" minOccurs="0" name="contactList" type="ContactListType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ContactListType / contact
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#ParamGroupType_referenceableParamGroupRef schema.tmp#ParamGroupType_cvParam schema.tmp#ParamGroupType_cvParamWithUnit schema.tmp#ParamGroupType_cvTerm schema.tmp#ParamGroupType_userParam schema.tmp#ParamGroupType NO_NAMESPACE.tmp#ContactType_id NO_NAMESPACE.tmp#ContactType_fullname NO_NAMESPACE.tmp#ContactType_url NO_NAMESPACE.tmp#ContactType_address NO_NAMESPACE.tmp#ContactType_organization NO_NAMESPACE.tmp#ContactType_email schema.tmp#ContactType
Type ContactType
Type hierarchy
Properties
content complex
maxOccurs unbounded
Model
Children cvParam, cvParamWithUnit, cvTerm, referenceableParamGroupRef, userParam
Instance
 
<contact address="" email="" fullname="" id="" organization="" url="" xmlns="http://nmrml.org/schema">
  <referenceableParamGroupRef ref="">{0,unbounded}</referenceableParamGroupRef>
  <cvParam accession="" cvRef="" name="" value="">{0,unbounded}</cvParam>
  <cvParamWithUnit accession="" cvRef="" name="" unitAccession="" unitCvRef="" unitName="" value="">{0,unbounded}</cvParamWithUnit>
  <cvTerm accession="" cvRef="" name="">{0,unbounded}</cvTerm>
  <userParam name="" unitAccession="" unitCvRef="" unitName="" value="" valueType="">{0,unbounded}</userParam>
</contact>
Attributes
QName Type Use Annotation
address xs:string optional 
Postal address of the contact person or
organization.
email xs:string required 
Email address of the contact person or
organization.
fullname xs:string required 
Name of the contact person.
id xs:ID required 
An identifier for this contact .
organization xs:string optional 
Home institution of the contact person.
url xs:anyURI optional 
Uniform Resource Locator related to the contact person or
organization.
Source
 
<xs:element name="contact" type="dx:ContactType" maxOccurs="unbounded"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element nmrMLType / referenceableParamGroupList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#ReferenceableParamGroupListType_referenceableParamGroup schema.tmp#ReferenceableParamGroupListType
Type ReferenceableParamGroupListType
Properties
content complex
minOccurs 0
Model
Children referenceableParamGroup
Instance
 
<referenceableParamGroupList xmlns="http://nmrml.org/schema">
  <referenceableParamGroup id="">{1,unbounded}</referenceableParamGroup>
</referenceableParamGroupList>
Source
 
<xs:element minOccurs="0" name="referenceableParamGroupList" type="ReferenceableParamGroupListType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ReferenceableParamGroupListType / referenceableParamGroup
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ReferenceableParamGroupType_id schema.tmp#ReferenceableParamGroupType_cvParam schema.tmp#ReferenceableParamGroupType_userParam schema.tmp#ReferenceableParamGroupType
Type ReferenceableParamGroupType
Properties
content complex
maxOccurs unbounded
Model
Children cvParam, userParam
Instance
 
<referenceableParamGroup id="" xmlns="http://nmrml.org/schema">
  <cvParam accession="" cvRef="" name="" value="">{0,unbounded}</cvParam>
  <userParam name="" unitAccession="" unitCvRef="" unitName="" value="" valueType="">{0,unbounded}</userParam>
</referenceableParamGroup>
Attributes
QName Type Use Annotation
id xs:ID required 
The identifier with which to reference this
ReferenceableParamGroup.
Source
 
<xs:element maxOccurs="unbounded" name="referenceableParamGroup" type="ReferenceableParamGroupType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ReferenceableParamGroupType / cvParam
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVParamType_cvRef NO_NAMESPACE.tmp#CVParamType_accession NO_NAMESPACE.tmp#CVParamType_name NO_NAMESPACE.tmp#CVParamType_value schema.tmp#CVParamType
Type CVParamType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
value xs:string optional 
The value for the parameter; may be absent if not appropriate, or a
numeric or symbolic value, or may itself be CV (legal values for a parameter should be
enumerated and defined in the ontology).
Source
 
<xs:element minOccurs="0" maxOccurs="unbounded" name="cvParam" type="CVParamType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ReferenceableParamGroupType / userParam
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#UserParamType_name NO_NAMESPACE.tmp#UserParamType_valueType NO_NAMESPACE.tmp#UserParamType_value NO_NAMESPACE.tmp#UserParamType_unitAccession NO_NAMESPACE.tmp#UserParamType_unitName NO_NAMESPACE.tmp#UserParamType_unitCvRef schema.tmp#UserParamType
Type UserParamType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use Annotation
name xs:string required 
The name for the parameter.
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional 
The value for the parameter, where appropriate.
valueType xs:string optional 
The datatype of the parameter, where appropriate (e.g.:
xsd:float).
Source
 
<xs:element minOccurs="0" maxOccurs="unbounded" name="userParam" type="UserParamType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element nmrMLType / sourceFileList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#SourceFileListType_sourceFile schema.tmp#SourceFileListType
Type SourceFileListType
Properties
content complex
minOccurs 0
Model
Children sourceFile
Instance
 
<sourceFileList xmlns="http://nmrml.org/schema">
  <sourceFile id="" location="" name="" sha1="">{1,unbounded}</sourceFile>
</sourceFileList>
Source
 
<xs:element minOccurs="0" name="sourceFileList" type="SourceFileListType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SourceFileListType / sourceFile
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#ParamGroupType_referenceableParamGroupRef schema.tmp#ParamGroupType_cvParam schema.tmp#ParamGroupType_cvParamWithUnit schema.tmp#ParamGroupType_cvTerm schema.tmp#ParamGroupType_userParam schema.tmp#ParamGroupType NO_NAMESPACE.tmp#SourceFileType_id NO_NAMESPACE.tmp#SourceFileType_name NO_NAMESPACE.tmp#SourceFileType_location NO_NAMESPACE.tmp#SourceFileType_sha1 schema.tmp#SourceFileType
Type SourceFileType
Type hierarchy
Properties
content complex
minOccurs 1
maxOccurs unbounded
Model
Children cvParam, cvParamWithUnit, cvTerm, referenceableParamGroupRef, userParam
Instance
 
<sourceFile id="" location="" name="" sha1="" xmlns="http://nmrml.org/schema">
  <referenceableParamGroupRef ref="">{0,unbounded}</referenceableParamGroupRef>
  <cvParam accession="" cvRef="" name="" value="">{0,unbounded}</cvParam>
  <cvParamWithUnit accession="" cvRef="" name="" unitAccession="" unitCvRef="" unitName="" value="">{0,unbounded}</cvParamWithUnit>
  <cvTerm accession="" cvRef="" name="">{0,unbounded}</cvTerm>
  <userParam name="" unitAccession="" unitCvRef="" unitName="" value="" valueType="">{0,unbounded}</userParam>
</sourceFile>
Attributes
QName Type Use Annotation
id xs:ID required 
An identifier for this file.
location xs:anyURI required 
URI-formatted location where the file was
retrieved.
name xs:string required 
Name of the source file, without reference to location (either URI or
local path).
sha1 xs:string optional
Source
 
<xs:element minOccurs="1" maxOccurs="unbounded" name="sourceFile" type="dx:SourceFileType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element nmrMLType / softwareList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#SoftwareListType_software schema.tmp#SoftwareListType
Type SoftwareListType
Properties
content complex
minOccurs 0
Model
Children software
Instance
 
<softwareList xmlns="http://nmrml.org/schema">
  <software accession="" cvRef="" id="" name="" version="">{1,unbounded}</software>
</softwareList>
Source
 
<xs:element name="softwareList" type="SoftwareListType" minOccurs="0"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SoftwareListType / software
Namespace http://nmrml.org/schema
Annotations
 
A software program used during the acquisition of the spectra or
processing of the FID.
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType NO_NAMESPACE.tmp#SoftwareType_id NO_NAMESPACE.tmp#SoftwareType_version schema.tmp#SoftwareType
Type SoftwareType
Type hierarchy
Properties
content complex
maxOccurs unbounded
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
id xs:ID required 
An identifier for this software that is unique across all
SoftwareTypes.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
version xs:string optional 
The software version.
Source
 
<xs:element maxOccurs="unbounded" name="software" type="dx:SoftwareType">
  <xs:annotation>
    <xs:documentation>A software program used during the acquisition of the spectra or processing of the FID.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element nmrMLType / instrumentConfigurationList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#InstrumentConfigurationListType_instrumentConfiguration schema.tmp#InstrumentConfigurationListType
Type InstrumentConfigurationListType
Properties
content complex
Model
Children instrumentConfiguration
Instance
 
<instrumentConfigurationList xmlns="http://nmrml.org/schema">
  <instrumentConfiguration id="">{1,unbounded}</instrumentConfiguration>
</instrumentConfigurationList>
Source
 
<xs:element name="instrumentConfigurationList" type="InstrumentConfigurationListType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element InstrumentConfigurationListType / instrumentConfiguration
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#ParamGroupType_referenceableParamGroupRef schema.tmp#ParamGroupType_cvParam schema.tmp#ParamGroupType_cvParamWithUnit schema.tmp#ParamGroupType_cvTerm schema.tmp#ParamGroupType_userParam schema.tmp#ParamGroupType NO_NAMESPACE.tmp#InstrumentConfigurationType_id schema.tmp#InstrumentConfigurationType_softwareRef schema.tmp#InstrumentConfigurationType
Type InstrumentConfigurationType
Type hierarchy
Properties
content complex
maxOccurs unbounded
Model
Children cvParam, cvParamWithUnit, cvTerm, referenceableParamGroupRef, softwareRef, userParam
Instance
 
<instrumentConfiguration id="" xmlns="http://nmrml.org/schema">
  <referenceableParamGroupRef ref="">{0,unbounded}</referenceableParamGroupRef>
  <cvParam accession="" cvRef="" name="" value="">{0,unbounded}</cvParam>
  <cvParamWithUnit accession="" cvRef="" name="" unitAccession="" unitCvRef="" unitName="" value="">{0,unbounded}</cvParamWithUnit>
  <cvTerm accession="" cvRef="" name="">{0,unbounded}</cvTerm>
  <userParam name="" unitAccession="" unitCvRef="" unitName="" value="" valueType="">{0,unbounded}</userParam>
  <softwareRef ref="">{0,unbounded}</softwareRef>
</instrumentConfiguration>
Attributes
QName Type Use Annotation
id xs:ID required 
An identifier for this instrument configuration.
Source
 
<xs:element maxOccurs="unbounded" name="instrumentConfiguration" type="dx:InstrumentConfigurationType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element InstrumentConfigurationType / softwareRef
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SoftwareRefType_ref schema.tmp#SoftwareRefType
Type SoftwareRefType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must be used to reference the 'id' attribute of a software
element.
Source
 
<xs:element minOccurs="0" name="softwareRef" type="SoftwareRefType" maxOccurs="unbounded"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element nmrMLType / sampleList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#SampleListType_sample schema.tmp#SampleListType
Type SampleListType
Properties
content complex
minOccurs 0
Model
Children sample
Instance
 
<sampleList xmlns="http://nmrml.org/schema">
  <sample originalBiologicalSampleReference="">{1,unbounded}</sample>
</sampleList>
Source
 
<xs:element minOccurs="0" name="sampleList" type="SampleListType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SampleListType / sample
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SampleType_originalBiologicalSampleReference schema.tmp#SampleType_originalBiologicalSamplepH schema.tmp#SampleType_postBufferpH schema.tmp#SampleType_buffer schema.tmp#SampleType_fieldFrequencyLock schema.tmp#SampleType_chemicalShiftStandard schema.tmp#SampleType_solventType schema.tmp#SampleType_additionalSoluteList schema.tmp#SampleType_concentrationStandard schema.tmp#SampleType
Type SampleType
Properties
content complex
maxOccurs unbounded
Model
Children additionalSoluteList, buffer, chemicalShiftStandard, concentrationStandard, fieldFrequencyLock, originalBiologicalSamplepH, postBufferpH, solventType
Instance
 
<sample originalBiologicalSampleReference="" xmlns="http://nmrml.org/schema">
  <originalBiologicalSamplepH>{0,1}</originalBiologicalSamplepH>
  <postBufferpH>{0,1}</postBufferpH>
  <buffer accession="" cvRef="" name="">{0,1}</buffer>
  <fieldFrequencyLock fieldFrequencyLockName="">{1,1}</fieldFrequencyLock>
  <chemicalShiftStandard accession="" cvRef="" name="" value="">{1,1}</chemicalShiftStandard>
  <solventType accession="" cvRef="" name="" unitAccession="" unitCvRef="" unitName="" value="">{1,unbounded}</solventType>
  <additionalSoluteList>{1,1}</additionalSoluteList>
  <concentrationStandard>{0,1}</concentrationStandard>
</sample>
Attributes
QName Type Use
originalBiologicalSampleReference xs:anyURI required
Source
 
<xs:element maxOccurs="unbounded" name="sample" type="dx:SampleType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SampleType / originalBiologicalSamplepH
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#PhType
Type PhType
Properties
content simple
minOccurs 0
maxOccurs 1
Source
 
<xs:element maxOccurs="1" minOccurs="0" name="originalBiologicalSamplepH" type="PhType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SampleType / postBufferpH
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#PhType
Type PhType
Properties
content simple
minOccurs 0
maxOccurs 1
Source
 
<xs:element maxOccurs="1" minOccurs="0" name="postBufferpH" type="PhType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SampleType / buffer
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
minOccurs 0
maxOccurs 1
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element maxOccurs="1" minOccurs="0" name="buffer" type="CVTermType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SampleType / fieldFrequencyLock
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SampleType_SampleType_fieldFrequencyLock_fieldFrequencyLockName
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use
fieldFrequencyLockName xs:string required
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="fieldFrequencyLock">
  <xs:complexType>
    <xs:attribute name="fieldFrequencyLockName" type="xs:string" use="required"/>
  </xs:complexType>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SampleType / chemicalShiftStandard
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVParamType_cvRef NO_NAMESPACE.tmp#CVParamType_accession NO_NAMESPACE.tmp#CVParamType_name NO_NAMESPACE.tmp#CVParamType_value schema.tmp#CVParamType
Type CVParamType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
value xs:string optional 
The value for the parameter; may be absent if not appropriate, or a
numeric or symbolic value, or may itself be CV (legal values for a parameter should be
enumerated and defined in the ontology).
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="chemicalShiftStandard" type="CVParamType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SampleType / solventType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVParamWithUnitType_cvRef NO_NAMESPACE.tmp#CVParamWithUnitType_accession NO_NAMESPACE.tmp#CVParamWithUnitType_name NO_NAMESPACE.tmp#CVParamWithUnitType_value NO_NAMESPACE.tmp#CVParamWithUnitType_unitCvRef NO_NAMESPACE.tmp#CVParamWithUnitType_unitAccession NO_NAMESPACE.tmp#CVParamWithUnitType_unitName schema.tmp#CVParamWithUnitType
Type CVParamWithUnitType
Properties
content complex
maxOccurs unbounded
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional 
The value for the parameter; may be absent if not appropriate, or a
numeric or symbolic value, or may itself be CV (legal values for a parameter should be
enumerated and defined in the ontology).
Source
 
<xs:element name="solventType" type="CVParamWithUnitType" maxOccurs="unbounded"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SampleType / additionalSoluteList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#AdditionalSoluteListType_solute schema.tmp#AdditionalSoluteListType
Type AdditionalSoluteListType
Properties
content complex
Model
Children solute
Instance
 
<additionalSoluteList xmlns="http://nmrml.org/schema">
  <solute name="">{0,unbounded}</solute>
</additionalSoluteList>
Source
 
<xs:element name="additionalSoluteList" type="AdditionalSoluteListType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AdditionalSoluteListType / solute
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SoluteType_name schema.tmp#SoluteType_concentrationInSample schema.tmp#SoluteType
Type SoluteType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Model
Children concentrationInSample
Instance
 
<solute name="" xmlns="http://nmrml.org/schema">
  <concentrationInSample unitAccession="" unitCvRef="" unitName="" value="">{1,1}</concentrationInSample>
</solute>
Attributes
QName Type Use
name xs:string required
Source
 
<xs:element maxOccurs="unbounded" minOccurs="0" name="solute" type="SoluteType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SoluteType / concentrationInSample
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element name="concentrationInSample" type="ValueWithUnitType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SampleType / concentrationStandard
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#SampleType_SampleType_concentrationStandard_type schema.tmp#SampleType_SampleType_concentrationStandard_concentrationInSample schema.tmp#SampleType_SampleType_concentrationStandard_name
Properties
content complex
minOccurs 0
maxOccurs 1
Model
Children concentrationInSample, name, type
Instance
 
<concentrationStandard xmlns="http://nmrml.org/schema">
  <type accession="" cvRef="" name="">{1,1}</type>
  <concentrationInSample unitAccession="" unitCvRef="" unitName="" value="">{1,1}</concentrationInSample>
  <name accession="" cvRef="" name="">{1,1}</name>
</concentrationStandard>
Source
 
<xs:element maxOccurs="1" minOccurs="0" name="concentrationStandard">
  <xs:complexType>
    <xs:sequence>
      <xs:element name="type" type="CVTermType"/>
      <xs:element name="concentrationInSample" type="ValueWithUnitType"/>
      <xs:element name="name" type="CVTermType"/>
    </xs:sequence>
  </xs:complexType>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SampleType / concentrationStandard / type
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="type" type="CVTermType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SampleType / concentrationStandard / concentrationInSample
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element name="concentrationInSample" type="ValueWithUnitType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SampleType / concentrationStandard / name
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="name" type="CVTermType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element nmrMLType / acquisition
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#AcquisitionType_acquisition1D schema.tmp#AcquisitionType_acquisitionMultiD schema.tmp#AcquisitionType
Type AcquisitionType
Properties
content complex
Model
Children acquisition1D, acquisitionMultiD
Instance
 
<acquisition xmlns="http://nmrml.org/schema">
  <acquisition1D id="" name="">{1,1}</acquisition1D>
  <acquisitionMultiD>{1,1}</acquisitionMultiD>
</acquisition>
Source
 
<xs:element name="acquisition" type="AcquisitionType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionType / acquisition1D
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#Acquisition1DType_id NO_NAMESPACE.tmp#Acquisition1DType_name schema.tmp#Acquisition1DType_acquisitionParameterSet schema.tmp#Acquisition1DType_fidData schema.tmp#Acquisition1DType
Type Acquisition1DType
Properties
content complex
minOccurs 1
maxOccurs 1
Model
Children acquisitionParameterSet, fidData
Instance
 
<acquisition1D id="" name="" xmlns="http://nmrml.org/schema">
  <acquisitionParameterSet numberOfScans="" numberOfSteadyStateScans="">{1,1}</acquisitionParameterSet>
  <fidData byteFormat="" compressed="" encodedLength="">{1,1}</fidData>
</acquisition1D>
Attributes
QName Type Use Annotation
id xs:ID optional 
An ID for the spectrum so that it can be referenced within the file for spectrum annotations.
name xs:string optional 
A (optional) name so that it can be differentiated other than by its rank if multiple spectra are embedded within the file
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="acquisition1D" type="Acquisition1DType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element Acquisition1DType / acquisitionParameterSet
Namespace http://nmrml.org/schema
Annotations
 
Note, steady state scan is also know as dummy scan.
Diagram
Diagram NO_NAMESPACE.tmp#AcquisitionParameterSetType_numberOfSteadyStateScans NO_NAMESPACE.tmp#AcquisitionParameterSetType_numberOfScans schema.tmp#AcquisitionParameterSetType_contactRefList schema.tmp#AcquisitionParameterSetType_softwareRef schema.tmp#AcquisitionParameterSetType_sampleContainer schema.tmp#AcquisitionParameterSetType_sampleAcquisitionTemperature schema.tmp#AcquisitionParameterSetType_solventSuppressionMethod schema.tmp#AcquisitionParameterSetType_spinningRate schema.tmp#AcquisitionParameterSetType_relaxationDelay schema.tmp#AcquisitionParameterSetType_pulseSequence schema.tmp#AcquisitionParameterSetType_shapedPulseFile schema.tmp#AcquisitionParameterSetType_groupDelay schema.tmp#AcquisitionParameterSetType_acquisitionParameterRefList schema.tmp#AcquisitionParameterSetType schema.tmp#AcquisitionParameterSet1DType_DirectDimensionParameterSet schema.tmp#AcquisitionParameterSet1DType
Type AcquisitionParameterSet1DType
Type hierarchy
Properties
content complex
minOccurs 1
maxOccurs 1
Model
Children DirectDimensionParameterSet, acquisitionParameterRefList, contactRefList, groupDelay, pulseSequence, relaxationDelay, sampleAcquisitionTemperature, sampleContainer, shapedPulseFile, softwareRef, solventSuppressionMethod, spinningRate
Instance
 
<acquisitionParameterSet numberOfScans="" numberOfSteadyStateScans="" xmlns="http://nmrml.org/schema">
  <contactRefList>{0,1}</contactRefList>
  <softwareRef ref="">{0,1}</softwareRef>
  <sampleContainer accession="" cvRef="" name="">{1,1}</sampleContainer>
  <sampleAcquisitionTemperature unitAccession="" unitCvRef="" unitName="" value="">{1,1}</sampleAcquisitionTemperature>
  <solventSuppressionMethod accession="" cvRef="" name="" value="">{0,1}</solventSuppressionMethod>
  <spinningRate unitAccession="" unitCvRef="" unitName="" value="">{1,1}</spinningRate>
  <relaxationDelay unitAccession="" unitCvRef="" unitName="" value="">{1,1}</relaxationDelay>
  <pulseSequence>{1,1}</pulseSequence>
  <shapedPulseFile ref="">{0,1}</shapedPulseFile>
  <groupDelay unitAccession="" unitCvRef="" unitName="" value="">{0,1}</groupDelay>
  <acquisitionParameterRefList>{0,1}</acquisitionParameterRefList>
  <DirectDimensionParameterSet decoupled="" numberOfDataPoints="">{1,1}</DirectDimensionParameterSet>
</acquisitionParameterSet>
Attributes
QName Type Use Annotation
numberOfScans xs:integer required 
The number of transients/scans.
numberOfSteadyStateScans xs:integer required 
Steady state scans taken in an NMR acquisition without collecting data. Also known as dummy scans. The pulse sequence is the same for a steady state scan, the only difference is that data is not collected. (More info here: http://u-of-o-nmr-facility.blogspot.ca/2010/04/dummy-scans.html )
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="acquisitionParameterSet" type="AcquisitionParameterSet1DType">
  <xs:annotation>
    <xs:documentation>Note, steady state scan is also know as dummy scan.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetType / contactRefList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#ContactRefListType_contactRef schema.tmp#ContactRefListType
Type ContactRefListType
Properties
content complex
minOccurs 0
Model
Children contactRef
Instance
 
<contactRefList xmlns="http://nmrml.org/schema">
  <contactRef ref="">{1,unbounded}</contactRef>
</contactRefList>
Source
 
<xs:element name="contactRefList" type="ContactRefListType" minOccurs="0"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ContactRefListType / contactRef
Namespace http://nmrml.org/schema
Annotations
 
Reference to a previously defined sourceFile.
Diagram
Diagram NO_NAMESPACE.tmp#ContactRefType_ref schema.tmp#ContactRefType
Type ContactRefType
Properties
content complex
maxOccurs unbounded
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must reference the 'id' of the contact node in the
contactList.
Source
 
<xs:element maxOccurs="unbounded" name="contactRef" type="ContactRefType">
  <xs:annotation>
    <xs:documentation>Reference to a previously defined sourceFile.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetType / softwareRef
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SoftwareRefType_ref schema.tmp#SoftwareRefType
Type SoftwareRefType
Properties
content complex
minOccurs 0
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must be used to reference the 'id' attribute of a software
element.
Source
 
<xs:element minOccurs="0" name="softwareRef" type="SoftwareRefType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetType / sampleContainer
Namespace http://nmrml.org/schema
Annotations
 
The container used to introduc the sample into the autosampler. Example:
tube, flow probe, rotor. Must reference a CV term.
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="sampleContainer" type="CVTermType">
  <xs:annotation>
    <xs:documentation>The container used to introduc the sample into the autosampler. Example: tube, flow probe, rotor. Must reference a CV term.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetType / sampleAcquisitionTemperature
Namespace http://nmrml.org/schema
Annotations
 
The temperature of the sample during the acquisition.
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="sampleAcquisitionTemperature" type="ValueWithUnitType">
  <xs:annotation>
    <xs:documentation>The temperature of the sample during the acquisition.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetType / solventSuppressionMethod
Namespace http://nmrml.org/schema
Annotations
 
This tag captures the instrument inherent solvent (usually water)
suppression method used during acquisition.
Diagram
Diagram NO_NAMESPACE.tmp#CVParamType_cvRef NO_NAMESPACE.tmp#CVParamType_accession NO_NAMESPACE.tmp#CVParamType_name NO_NAMESPACE.tmp#CVParamType_value schema.tmp#CVParamType
Type CVParamType
Properties
content complex
minOccurs 0
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
value xs:string optional 
The value for the parameter; may be absent if not appropriate, or a
numeric or symbolic value, or may itself be CV (legal values for a parameter should be
enumerated and defined in the ontology).
Source
 
<xs:element minOccurs="0" name="solventSuppressionMethod" type="CVParamType">
  <xs:annotation>
    <xs:documentation>This tag captures the instrument inherent solvent (usually water) suppression method used during acquisition.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetType / spinningRate
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="spinningRate" type="ValueWithUnitType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetType / relaxationDelay
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="relaxationDelay" type="ValueWithUnitType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetType / pulseSequence
Namespace http://nmrml.org/schema
Annotations
 
A description of the pulse sequence using CV params/terms, and reference
to the pulse sequence file if the source is available.
Diagram
Diagram schema.tmp#ParamGroupType_referenceableParamGroupRef schema.tmp#ParamGroupType_cvParam schema.tmp#ParamGroupType_cvParamWithUnit schema.tmp#ParamGroupType_cvTerm schema.tmp#ParamGroupType_userParam schema.tmp#ParamGroupType schema.tmp#PulseSequenceType
Type PulseSequenceType
Type hierarchy
Properties
content complex
minOccurs 1
maxOccurs 1
mixed false
Model
Children cvParam, cvParamWithUnit, cvTerm, referenceableParamGroupRef, userParam
Instance
 
<pulseSequence xmlns="http://nmrml.org/schema">
  <referenceableParamGroupRef ref="">{0,unbounded}</referenceableParamGroupRef>
  <cvParam accession="" cvRef="" name="" value="">{0,unbounded}</cvParam>
  <cvParamWithUnit accession="" cvRef="" name="" unitAccession="" unitCvRef="" unitName="" value="">{0,unbounded}</cvParamWithUnit>
  <cvTerm accession="" cvRef="" name="">{0,unbounded}</cvTerm>
  <userParam name="" unitAccession="" unitCvRef="" unitName="" value="" valueType="">{0,unbounded}</userParam>
</pulseSequence>
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="pulseSequence" type="PulseSequenceType">
  <xs:annotation>
    <xs:documentation>A description of the pulse sequence using CV params/terms, and reference to the pulse sequence file if the source is available.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetType / shapedPulseFile
Namespace http://nmrml.org/schema
Annotations
 
A reference to the pulse shape file, from the power section of the
Bruker acquisition software. Example: gauss
Diagram
Diagram NO_NAMESPACE.tmp#SourceFileRefType_ref schema.tmp#SourceFileRefType
Type SourceFileRefType
Properties
content complex
minOccurs 0
maxOccurs 1
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must reference the 'id' of the appropriate
sourceFile.
Source
 
<xs:element maxOccurs="1" minOccurs="0" name="shapedPulseFile" type="SourceFileRefType">
  <xs:annotation>
    <xs:documentation>A reference to the pulse shape file, from the power section of the Bruker acquisition software. Example: gauss</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetType / groupDelay
Namespace http://nmrml.org/schema
Annotations
 
In the case of Bruker spectra a dead time or group delay can be observed in the FID: it starts with very small values and then, after some points (usually between 60-80 points) the normal FID starts. It can be a number with decimal value.
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 0
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="0" name="groupDelay" type="ValueWithUnitType">
  <xs:annotation>
    <xs:documentation>In the case of Bruker spectra a dead time or group delay can be observed in the FID: it starts with very small values and then, after some points (usually between 60-80 points) the normal FID starts. It can be a number with decimal value.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetType / acquisitionParameterRefList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#AcquisitionParameterFileRefListType_acquisitionParameterFileRef schema.tmp#AcquisitionParameterFileRefListType
Type AcquisitionParameterFileRefListType
Properties
content complex
minOccurs 0
Model
Children acquisitionParameterFileRef
Instance
 
<acquisitionParameterRefList xmlns="http://nmrml.org/schema">
  <acquisitionParameterFileRef ref="">{1,unbounded}</acquisitionParameterFileRef>
</acquisitionParameterRefList>
Source
 
<xs:element minOccurs="0" name="acquisitionParameterRefList" type="AcquisitionParameterFileRefListType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterFileRefListType / acquisitionParameterFileRef
Namespace http://nmrml.org/schema
Annotations
 
Reference to a previously defined sourceFile.
Diagram
Diagram NO_NAMESPACE.tmp#AcquisitionParameterFileRefType_ref schema.tmp#AcquisitionParameterFileRefType
Type AcquisitionParameterFileRefType
Properties
content complex
maxOccurs unbounded
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must reference the 'id' of the sourceFile node in the sourceFileList
Source
 
<xs:element maxOccurs="unbounded" name="acquisitionParameterFileRef" type="AcquisitionParameterFileRefType">
  <xs:annotation>
    <xs:documentation>Reference to a previously defined sourceFile.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSet1DType / DirectDimensionParameterSet
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#AcquisitionDimensionParameterSetType_decoupled NO_NAMESPACE.tmp#AcquisitionDimensionParameterSetType_numberOfDataPoints schema.tmp#AcquisitionDimensionParameterSetType_decouplingMethod schema.tmp#AcquisitionDimensionParameterSetType_acquisitionNucleus schema.tmp#AcquisitionDimensionParameterSetType_effectiveExcitationField schema.tmp#AcquisitionDimensionParameterSetType_sweepWidth schema.tmp#AcquisitionDimensionParameterSetType_pulseWidth schema.tmp#AcquisitionDimensionParameterSetType_irradiationFrequency schema.tmp#AcquisitionDimensionParameterSetType_irradiationFrequencyOffset schema.tmp#AcquisitionDimensionParameterSetType_decouplingNucleus schema.tmp#AcquisitionDimensionParameterSetType_samplingStrategy schema.tmp#AcquisitionDimensionParameterSetType_samplingTimePoints schema.tmp#AcquisitionDimensionParameterSetType
Type AcquisitionDimensionParameterSetType
Properties
content complex
Model
Children acquisitionNucleus, decouplingMethod, decouplingNucleus, effectiveExcitationField, irradiationFrequency, irradiationFrequencyOffset, pulseWidth, samplingStrategy, samplingTimePoints, sweepWidth
Instance
 
<DirectDimensionParameterSet decoupled="" numberOfDataPoints="" xmlns="http://nmrml.org/schema">
  <decouplingMethod accession="" cvRef="" name="">{0,1}</decouplingMethod>
  <acquisitionNucleus accession="" cvRef="" name="">{1,1}</acquisitionNucleus>
  <effectiveExcitationField unitAccession="" unitCvRef="" unitName="" value="">{1,1}</effectiveExcitationField>
  <sweepWidth unitAccession="" unitCvRef="" unitName="" value="">{1,1}</sweepWidth>
  <pulseWidth unitAccession="" unitCvRef="" unitName="" value="">{1,1}</pulseWidth>
  <irradiationFrequency unitAccession="" unitCvRef="" unitName="" value="">{1,1}</irradiationFrequency>
  <irradiationFrequencyOffset unitAccession="" unitCvRef="" unitName="" value="">{1,1}</irradiationFrequencyOffset>
  <decouplingNucleus accession="" cvRef="" name="">{0,1}</decouplingNucleus>
  <samplingStrategy accession="" cvRef="" name="">{1,1}</samplingStrategy>
  <samplingTimePoints byteFormat="" compressed="" encodedLength="">{0,1}</samplingTimePoints>
</DirectDimensionParameterSet>
Attributes
QName Type Use
decoupled xs:boolean required
numberOfDataPoints xs:integer required
Source
 
<xs:element name="DirectDimensionParameterSet" type="AcquisitionDimensionParameterSetType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionDimensionParameterSetType / decouplingMethod
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
minOccurs 0
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element minOccurs="0" name="decouplingMethod" type="CVTermType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionDimensionParameterSetType / acquisitionNucleus
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="acquisitionNucleus" type="CVTermType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionDimensionParameterSetType / effectiveExcitationField
Namespace http://nmrml.org/schema
Annotations
 
replacing the hardPulse parameter, would be automatically calculated
from the pulse width in the procs file. If you say the pulse width you also have to specify the excitation angle
so this way is more compact/useful. Should be recorded in Tesla
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="effectiveExcitationField" type="ValueWithUnitType">
  <xs:annotation>
    <xs:documentation>replacing the hardPulse parameter, would be automatically calculated from the pulse width in the procs file. If you say the pulse width you also have to specify the excitation angle so this way is more compact/useful. Should be recorded in Tesla</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionDimensionParameterSetType / sweepWidth
Namespace http://nmrml.org/schema
Annotations
 
Should be in ppm and Hz.
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="sweepWidth" type="ValueWithUnitType">
  <xs:annotation>
    <xs:documentation>Should be in ppm and Hz.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionDimensionParameterSetType / pulseWidth
Namespace http://nmrml.org/schema
Annotations
 
90° pulse width, measured in µs
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element name="pulseWidth" type="ValueWithUnitType">
  <xs:annotation>
    <xs:documentation>90° pulse width, measured in µs</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionDimensionParameterSetType / irradiationFrequency
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="irradiationFrequency" type="ValueWithUnitType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionDimensionParameterSetType / irradiationFrequencyOffset
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="irradiationFrequencyOffset" type="ValueWithUnitType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionDimensionParameterSetType / decouplingNucleus
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
minOccurs 0
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="decouplingNucleus" type="CVTermType" minOccurs="0"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionDimensionParameterSetType / samplingStrategy
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="samplingStrategy" type="CVTermType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionDimensionParameterSetType / samplingTimePoints
Namespace http://nmrml.org/schema
Annotations
 
The time domain for the samples. Allows for capturing off grid points
and non-uniform sampling.
Diagram
Diagram NO_NAMESPACE.tmp#BinaryDataArrayType_compressed NO_NAMESPACE.tmp#BinaryDataArrayType_encodedLength NO_NAMESPACE.tmp#BinaryDataArrayType_byteFormat schema.tmp#BinaryDataArrayType
Type BinaryDataArrayType
Properties
content complex
minOccurs 0
Attributes
QName Type Use Annotation
byteFormat xs:string required 
TODO format as little endian 64 bit pairs of floats, or 32 bit pairs of floats. See online documentation for decoding examples.
compressed xs:boolean required 
True if the binary data was compressed with zlib before encoding as
base64
encodedLength xs:nonNegativeInteger required 
The number of characters in the base64 string. This is useful for skipping over the string in high throughput applications.
Source
 
<xs:element name="samplingTimePoints" type="BinaryDataArrayType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The time domain for the samples. Allows for capturing off grid points and non-uniform sampling.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element Acquisition1DType / fidData
Namespace http://nmrml.org/schema
Annotations
 
The FID is stored here as a binary blob. Byte ordering is always little endian (Intel style). Computers using a different endian style must convert to/from little endian when writing/reading nmrML. The FID should be converted into a Complex64 array before encoding. The base64 encoded binary data. The byte order is always 'little endian'.
Diagram
Diagram NO_NAMESPACE.tmp#BinaryDataArrayType_compressed NO_NAMESPACE.tmp#BinaryDataArrayType_encodedLength NO_NAMESPACE.tmp#BinaryDataArrayType_byteFormat schema.tmp#BinaryDataArrayType
Type BinaryDataArrayType
Properties
content complex
Attributes
QName Type Use Annotation
byteFormat xs:string required 
TODO format as little endian 64 bit pairs of floats, or 32 bit pairs of floats. See online documentation for decoding examples.
compressed xs:boolean required 
True if the binary data was compressed with zlib before encoding as
base64
encodedLength xs:nonNegativeInteger required 
The number of characters in the base64 string. This is useful for skipping over the string in high throughput applications.
Source
 
<xs:element name="fidData" type="BinaryDataArrayType">
  <xs:annotation>
    <xs:documentation>The FID is stored here as a binary blob. Byte ordering is always little endian (Intel style). Computers using a different endian style must convert to/from little endian when writing/reading nmrML. The FID should be converted into a Complex64 array before encoding. The base64 encoded binary data. The byte order is always 'little endian'.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionType / acquisitionMultiD
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#AcquisitionMultiDType_acquisitionParameterSet schema.tmp#AcquisitionMultiDType_fidData schema.tmp#AcquisitionMultiDType
Type AcquisitionMultiDType
Properties
content complex
maxOccurs 1
Model
Children acquisitionParameterSet, fidData
Instance
 
<acquisitionMultiD xmlns="http://nmrml.org/schema">
  <acquisitionParameterSet numberOfScans="" numberOfSteadyStateScans="">{1,1}</acquisitionParameterSet>
  <fidData byteFormat="" compressed="" encodedLength="">{1,1}</fidData>
</acquisitionMultiD>
Source
 
<xs:element maxOccurs="1" name="acquisitionMultiD" type="AcquisitionMultiDType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionMultiDType / acquisitionParameterSet
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#AcquisitionParameterSetType_numberOfSteadyStateScans NO_NAMESPACE.tmp#AcquisitionParameterSetType_numberOfScans schema.tmp#AcquisitionParameterSetType_contactRefList schema.tmp#AcquisitionParameterSetType_softwareRef schema.tmp#AcquisitionParameterSetType_sampleContainer schema.tmp#AcquisitionParameterSetType_sampleAcquisitionTemperature schema.tmp#AcquisitionParameterSetType_solventSuppressionMethod schema.tmp#AcquisitionParameterSetType_spinningRate schema.tmp#AcquisitionParameterSetType_relaxationDelay schema.tmp#AcquisitionParameterSetType_pulseSequence schema.tmp#AcquisitionParameterSetType_shapedPulseFile schema.tmp#AcquisitionParameterSetType_groupDelay schema.tmp#AcquisitionParameterSetType_acquisitionParameterRefList schema.tmp#AcquisitionParameterSetType schema.tmp#AcquisitionParameterSetMultiDType_hadamardParameterSet schema.tmp#AcquisitionParameterSetMultiDType_directDimensionParameterSet schema.tmp#AcquisitionParameterSetMultiDType_encodingScheme schema.tmp#AcquisitionParameterSetMultiDType_indirectDimensionParameterSet schema.tmp#AcquisitionParameterSetMultiDType
Type AcquisitionParameterSetMultiDType
Type hierarchy
Properties
content complex
minOccurs 1
maxOccurs 1
Model
Children acquisitionParameterRefList, contactRefList, directDimensionParameterSet, encodingScheme, groupDelay, hadamardParameterSet, indirectDimensionParameterSet, pulseSequence, relaxationDelay, sampleAcquisitionTemperature, sampleContainer, shapedPulseFile, softwareRef, solventSuppressionMethod, spinningRate
Instance
 
<acquisitionParameterSet numberOfScans="" numberOfSteadyStateScans="" xmlns="http://nmrml.org/schema">
  <contactRefList>{0,1}</contactRefList>
  <softwareRef ref="">{0,1}</softwareRef>
  <sampleContainer accession="" cvRef="" name="">{1,1}</sampleContainer>
  <sampleAcquisitionTemperature unitAccession="" unitCvRef="" unitName="" value="">{1,1}</sampleAcquisitionTemperature>
  <solventSuppressionMethod accession="" cvRef="" name="" value="">{0,1}</solventSuppressionMethod>
  <spinningRate unitAccession="" unitCvRef="" unitName="" value="">{1,1}</spinningRate>
  <relaxationDelay unitAccession="" unitCvRef="" unitName="" value="">{1,1}</relaxationDelay>
  <pulseSequence>{1,1}</pulseSequence>
  <shapedPulseFile ref="">{0,1}</shapedPulseFile>
  <groupDelay unitAccession="" unitCvRef="" unitName="" value="">{0,1}</groupDelay>
  <acquisitionParameterRefList>{0,1}</acquisitionParameterRefList>
  <hadamardParameterSet>{0,1}</hadamardParameterSet>
  <directDimensionParameterSet decoupled="" numberOfDataPoints="">{1,1}</directDimensionParameterSet>
  <encodingScheme accession="" cvRef="" name="" value="">{1,1}</encodingScheme>
  <indirectDimensionParameterSet decoupled="" numberOfDataPoints="">{1,unbounded}</indirectDimensionParameterSet>
</acquisitionParameterSet>
Attributes
QName Type Use Annotation
numberOfScans xs:integer required 
The number of transients/scans.
numberOfSteadyStateScans xs:integer required 
Steady state scans taken in an NMR acquisition without collecting data. Also known as dummy scans. The pulse sequence is the same for a steady state scan, the only difference is that data is not collected. (More info here: http://u-of-o-nmr-facility.blogspot.ca/2010/04/dummy-scans.html )
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="acquisitionParameterSet" type="AcquisitionParameterSetMultiDType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetMultiDType / hadamardParameterSet
Namespace http://nmrml.org/schema
Annotations
 
TODO needs to be a list of frequencies, but could allow for other
parameters.
Diagram
Diagram schema.tmp#AcquisitionParameterSetMultiDType_AcquisitionParameterSetMultiDType_hadamardParameterSet_hadamardFrequency
Properties
content complex
minOccurs 0
Model
Children hadamardFrequency
Instance
 
<hadamardParameterSet xmlns="http://nmrml.org/schema">
  <hadamardFrequency unitAccession="" unitCvRef="" unitName="" value="">{0,unbounded}</hadamardFrequency>
</hadamardParameterSet>
Source
 
<xs:element minOccurs="0" name="hadamardParameterSet">
  <xs:annotation>
    <xs:documentation>TODO needs to be a list of frequencies, but could allow for other parameters.</xs:documentation>
  </xs:annotation>
  <xs:complexType>
    <xs:sequence>
      <xs:element maxOccurs="unbounded" minOccurs="0" name="hadamardFrequency" type="ValueWithUnitType">
        <xs:annotation>
          <xs:documentation>Required if and only if the encoding type is Hadamard.</xs:documentation>
        </xs:annotation>
      </xs:element>
    </xs:sequence>
  </xs:complexType>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetMultiDType / hadamardParameterSet / hadamardFrequency
Namespace http://nmrml.org/schema
Annotations
 
Required if and only if the encoding type is
Hadamard.
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="unbounded" minOccurs="0" name="hadamardFrequency" type="ValueWithUnitType">
  <xs:annotation>
    <xs:documentation>Required if and only if the encoding type is Hadamard.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetMultiDType / directDimensionParameterSet
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#AcquisitionDimensionParameterSetType_decoupled NO_NAMESPACE.tmp#AcquisitionDimensionParameterSetType_numberOfDataPoints schema.tmp#AcquisitionDimensionParameterSetType_decouplingMethod schema.tmp#AcquisitionDimensionParameterSetType_acquisitionNucleus schema.tmp#AcquisitionDimensionParameterSetType_effectiveExcitationField schema.tmp#AcquisitionDimensionParameterSetType_sweepWidth schema.tmp#AcquisitionDimensionParameterSetType_pulseWidth schema.tmp#AcquisitionDimensionParameterSetType_irradiationFrequency schema.tmp#AcquisitionDimensionParameterSetType_irradiationFrequencyOffset schema.tmp#AcquisitionDimensionParameterSetType_decouplingNucleus schema.tmp#AcquisitionDimensionParameterSetType_samplingStrategy schema.tmp#AcquisitionDimensionParameterSetType_samplingTimePoints schema.tmp#AcquisitionDimensionParameterSetType
Type AcquisitionDimensionParameterSetType
Properties
content complex
Model
Children acquisitionNucleus, decouplingMethod, decouplingNucleus, effectiveExcitationField, irradiationFrequency, irradiationFrequencyOffset, pulseWidth, samplingStrategy, samplingTimePoints, sweepWidth
Instance
 
<directDimensionParameterSet decoupled="" numberOfDataPoints="" xmlns="http://nmrml.org/schema">
  <decouplingMethod accession="" cvRef="" name="">{0,1}</decouplingMethod>
  <acquisitionNucleus accession="" cvRef="" name="">{1,1}</acquisitionNucleus>
  <effectiveExcitationField unitAccession="" unitCvRef="" unitName="" value="">{1,1}</effectiveExcitationField>
  <sweepWidth unitAccession="" unitCvRef="" unitName="" value="">{1,1}</sweepWidth>
  <pulseWidth unitAccession="" unitCvRef="" unitName="" value="">{1,1}</pulseWidth>
  <irradiationFrequency unitAccession="" unitCvRef="" unitName="" value="">{1,1}</irradiationFrequency>
  <irradiationFrequencyOffset unitAccession="" unitCvRef="" unitName="" value="">{1,1}</irradiationFrequencyOffset>
  <decouplingNucleus accession="" cvRef="" name="">{0,1}</decouplingNucleus>
  <samplingStrategy accession="" cvRef="" name="">{1,1}</samplingStrategy>
  <samplingTimePoints byteFormat="" compressed="" encodedLength="">{0,1}</samplingTimePoints>
</directDimensionParameterSet>
Attributes
QName Type Use
decoupled xs:boolean required
numberOfDataPoints xs:integer required
Source
 
<xs:element name="directDimensionParameterSet" type="AcquisitionDimensionParameterSetType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetMultiDType / encodingScheme
Namespace http://nmrml.org/schema
Annotations
 
Quadrature detection method.
Diagram
Diagram NO_NAMESPACE.tmp#CVParamType_cvRef NO_NAMESPACE.tmp#CVParamType_accession NO_NAMESPACE.tmp#CVParamType_name NO_NAMESPACE.tmp#CVParamType_value schema.tmp#CVParamType
Type CVParamType
Properties
content complex
minOccurs 1
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
value xs:string optional 
The value for the parameter; may be absent if not appropriate, or a
numeric or symbolic value, or may itself be CV (legal values for a parameter should be
enumerated and defined in the ontology).
Source
 
<xs:element minOccurs="1" name="encodingScheme" type="CVParamType">
  <xs:annotation>
    <xs:documentation>Quadrature detection method.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionParameterSetMultiDType / indirectDimensionParameterSet
Namespace http://nmrml.org/schema
Annotations
 
Required once for each indirect dimension that is
measured.
Diagram
Diagram NO_NAMESPACE.tmp#AcquisitionDimensionParameterSetType_decoupled NO_NAMESPACE.tmp#AcquisitionDimensionParameterSetType_numberOfDataPoints schema.tmp#AcquisitionDimensionParameterSetType_decouplingMethod schema.tmp#AcquisitionDimensionParameterSetType_acquisitionNucleus schema.tmp#AcquisitionDimensionParameterSetType_effectiveExcitationField schema.tmp#AcquisitionDimensionParameterSetType_sweepWidth schema.tmp#AcquisitionDimensionParameterSetType_pulseWidth schema.tmp#AcquisitionDimensionParameterSetType_irradiationFrequency schema.tmp#AcquisitionDimensionParameterSetType_irradiationFrequencyOffset schema.tmp#AcquisitionDimensionParameterSetType_decouplingNucleus schema.tmp#AcquisitionDimensionParameterSetType_samplingStrategy schema.tmp#AcquisitionDimensionParameterSetType_samplingTimePoints schema.tmp#AcquisitionDimensionParameterSetType
Type AcquisitionDimensionParameterSetType
Properties
content complex
minOccurs 1
maxOccurs unbounded
Model
Children acquisitionNucleus, decouplingMethod, decouplingNucleus, effectiveExcitationField, irradiationFrequency, irradiationFrequencyOffset, pulseWidth, samplingStrategy, samplingTimePoints, sweepWidth
Instance
 
<indirectDimensionParameterSet decoupled="" numberOfDataPoints="" xmlns="http://nmrml.org/schema">
  <decouplingMethod accession="" cvRef="" name="">{0,1}</decouplingMethod>
  <acquisitionNucleus accession="" cvRef="" name="">{1,1}</acquisitionNucleus>
  <effectiveExcitationField unitAccession="" unitCvRef="" unitName="" value="">{1,1}</effectiveExcitationField>
  <sweepWidth unitAccession="" unitCvRef="" unitName="" value="">{1,1}</sweepWidth>
  <pulseWidth unitAccession="" unitCvRef="" unitName="" value="">{1,1}</pulseWidth>
  <irradiationFrequency unitAccession="" unitCvRef="" unitName="" value="">{1,1}</irradiationFrequency>
  <irradiationFrequencyOffset unitAccession="" unitCvRef="" unitName="" value="">{1,1}</irradiationFrequencyOffset>
  <decouplingNucleus accession="" cvRef="" name="">{0,1}</decouplingNucleus>
  <samplingStrategy accession="" cvRef="" name="">{1,1}</samplingStrategy>
  <samplingTimePoints byteFormat="" compressed="" encodedLength="">{0,1}</samplingTimePoints>
</indirectDimensionParameterSet>
Attributes
QName Type Use
decoupled xs:boolean required
numberOfDataPoints xs:integer required
Source
 
<xs:element maxOccurs="unbounded" minOccurs="1" name="indirectDimensionParameterSet" type="AcquisitionDimensionParameterSetType">
  <xs:annotation>
    <xs:documentation>Required once for each indirect dimension that is measured.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionMultiDType / fidData
Namespace http://nmrml.org/schema
Annotations
 
The FID is stored here as a binary blob. Byte ordering is always little
endian (Intel style). Computers using a different endian style must convert to/from
little endian when writing/reading nmrML. The FID should be converted into a Complex64
array before encoding. The base64 encoded binary data. The byte order is always 'little
endian'.
Diagram
Diagram NO_NAMESPACE.tmp#BinaryDataArrayType_compressed NO_NAMESPACE.tmp#BinaryDataArrayType_encodedLength NO_NAMESPACE.tmp#BinaryDataArrayType_byteFormat schema.tmp#BinaryDataArrayType
Type BinaryDataArrayType
Properties
content complex
Attributes
QName Type Use Annotation
byteFormat xs:string required 
TODO format as little endian 64 bit pairs of floats, or 32 bit pairs of floats. See online documentation for decoding examples.
compressed xs:boolean required 
True if the binary data was compressed with zlib before encoding as
base64
encodedLength xs:nonNegativeInteger required 
The number of characters in the base64 string. This is useful for skipping over the string in high throughput applications.
Source
 
<xs:element name="fidData" type="BinaryDataArrayType">
  <xs:annotation>
    <xs:documentation>The FID is stored here as a binary blob. Byte ordering is always little endian (Intel style). Computers using a different endian style must convert to/from little endian when writing/reading nmrML. The FID should be converted into a Complex64 array before encoding. The base64 encoded binary data. The byte order is always 'little endian'.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element nmrMLType / spectrumList
Namespace http://nmrml.org/schema
Annotations
 
A list of frequency domain spectrum data as well as information about how the spectrum was processed. There can be more than one do to different techniques for processing the FID data.
Diagram
Diagram schema.tmp#SpectrumListType_spectrum1D schema.tmp#SpectrumListType_spectrumMultiD schema.tmp#SpectrumListType
Type SpectrumListType
Properties
content complex
minOccurs 0
Model
Children spectrum1D, spectrumMultiD
Instance
 
<spectrumList xmlns="http://nmrml.org/schema">
  <spectrum1D id="" name="" numberOfDataPoints="">{0,unbounded}</spectrum1D>
  <spectrumMultiD id="" name="" numberOfDataPoints="">{0,unbounded}</spectrumMultiD>
</spectrumList>
Source
 
<xs:element minOccurs="0" name="spectrumList" type="SpectrumListType">
  <xs:annotation>
    <xs:documentation>A list of frequency domain spectrum data as well as information about how the spectrum was processed. There can be more than one do to different techniques for processing the FID data.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumListType / spectrum1D
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SpectrumType_numberOfDataPoints NO_NAMESPACE.tmp#SpectrumType_id NO_NAMESPACE.tmp#SpectrumType_name schema.tmp#SpectrumType_processingSoftwareRefList schema.tmp#SpectrumType_processingParameterFileRefList schema.tmp#SpectrumType_spectrumDataArray schema.tmp#SpectrumType_xAxis schema.tmp#SpectrumType_processingParameterSet schema.tmp#SpectrumType schema.tmp#Spectrum1DType_firstDimensionProcessingParameterSet schema.tmp#Spectrum1DType
Type Spectrum1DType
Type hierarchy
Properties
content complex
minOccurs 0
maxOccurs unbounded
Model
Children firstDimensionProcessingParameterSet, processingParameterFileRefList, processingParameterSet, processingSoftwareRefList, spectrumDataArray, xAxis
Instance
 
<spectrum1D id="" name="" numberOfDataPoints="" xmlns="http://nmrml.org/schema">
  <processingSoftwareRefList>{0,1}</processingSoftwareRefList>
  <processingParameterFileRefList>{0,1}</processingParameterFileRefList>
  <spectrumDataArray byteFormat="" compressed="" encodedLength="">{1,1}</spectrumDataArray>
  <xAxis endValue="" startValue="" unitAccession="" unitCvRef="" unitName="">{1,1}</xAxis>
  <processingParameterSet>{0,1}</processingParameterSet>
  <firstDimensionProcessingParameterSet>{0,1}</firstDimensionProcessingParameterSet>
</spectrum1D>
Attributes
QName Type Use Annotation
id xs:ID required 
An ID for the spectrum so that it can be referenced within the file for spectrum annotations.
name xs:string optional 
A (optional) name so that it can be differentiated other than by its rank if multiple spectra are embedded within the file
numberOfDataPoints xs:integer required 
The number of (x,y) points in the spectrum. This is needed to read the binary data.
Source
 
<xs:element minOccurs="0" maxOccurs="unbounded" name="spectrum1D" type="Spectrum1DType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumType / processingSoftwareRefList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#SoftwareRefListType_softwareRef schema.tmp#SoftwareRefListType
Type SoftwareRefListType
Properties
content complex
minOccurs 0
Model
Children softwareRef
Instance
 
<processingSoftwareRefList xmlns="http://nmrml.org/schema">
  <softwareRef ref="">{0,unbounded}</softwareRef>
</processingSoftwareRefList>
Source
 
<xs:element minOccurs="0" name="processingSoftwareRefList" type="SoftwareRefListType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SoftwareRefListType / softwareRef
Namespace http://nmrml.org/schema
Annotations
 
Reference to a previously defined sourceFile.
Diagram
Diagram NO_NAMESPACE.tmp#SoftwareRefType_ref schema.tmp#SoftwareRefType
Type SoftwareRefType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must be used to reference the 'id' attribute of a software
element.
Source
 
<xs:element minOccurs="0" maxOccurs="unbounded" name="softwareRef" type="SoftwareRefType">
  <xs:annotation>
    <xs:documentation>Reference to a previously defined sourceFile.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumType / processingParameterFileRefList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#ProcessingParameterFileRefListType_processingParameterFileRef schema.tmp#ProcessingParameterFileRefListType
Type ProcessingParameterFileRefListType
Properties
content complex
minOccurs 0
Model
Children processingParameterFileRef
Instance
 
<processingParameterFileRefList xmlns="http://nmrml.org/schema">
  <processingParameterFileRef ref="">{1,unbounded}</processingParameterFileRef>
</processingParameterFileRefList>
Source
 
<xs:element minOccurs="0" name="processingParameterFileRefList" type="ProcessingParameterFileRefListType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ProcessingParameterFileRefListType / processingParameterFileRef
Namespace http://nmrml.org/schema
Annotations
 
Reference to a previously defined sourceFile.
Diagram
Diagram NO_NAMESPACE.tmp#ProcessingParameterFileRefType_ref schema.tmp#ProcessingParameterFileRefType
Type ProcessingParameterFileRefType
Properties
content complex
maxOccurs unbounded
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must reference the 'id' of the sourceFile node in the sourceFileList.
Source
 
<xs:element maxOccurs="unbounded" name="processingParameterFileRef" type="ProcessingParameterFileRefType">
  <xs:annotation>
    <xs:documentation>Reference to a previously defined sourceFile.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumType / spectrumDataArray
Namespace http://nmrml.org/schema
Annotations
 
The 1D spectrum is represented as either a set of y-axis values at equal
x-axis intervals or a set of (x,y) pairs.
Diagram
Diagram NO_NAMESPACE.tmp#BinaryDataArrayType_compressed NO_NAMESPACE.tmp#BinaryDataArrayType_encodedLength NO_NAMESPACE.tmp#BinaryDataArrayType_byteFormat schema.tmp#BinaryDataArrayType
Type BinaryDataArrayType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
byteFormat xs:string required 
TODO format as little endian 64 bit pairs of floats, or 32 bit pairs of floats. See online documentation for decoding examples.
compressed xs:boolean required 
True if the binary data was compressed with zlib before encoding as
base64
encodedLength xs:nonNegativeInteger required 
The number of characters in the base64 string. This is useful for skipping over the string in high throughput applications.
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="spectrumDataArray" type="BinaryDataArrayType">
  <xs:annotation>
    <xs:documentation>The 1D spectrum is represented as either a set of y-axis values at equal x-axis intervals or a set of (x,y) pairs.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumType / xAxis
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#AxisWithUnitType_unitAccession NO_NAMESPACE.tmp#AxisWithUnitType_unitName NO_NAMESPACE.tmp#AxisWithUnitType_unitCvRef NO_NAMESPACE.tmp#AxisWithUnitType_startValue NO_NAMESPACE.tmp#AxisWithUnitType_endValue schema.tmp#AxisWithUnitType
Type AxisWithUnitType
Properties
content complex
Attributes
QName Type Use Annotation
endValue optional
startValue optional
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
Source
 
<xs:element name="xAxis" type="AxisWithUnitType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumType / processingParameterSet
Namespace http://nmrml.org/schema
Annotations
 
Optional information about processing that was used to create the frequency domain spectrum.
Diagram
Diagram schema.tmp#SpectrumType_SpectrumType_processingParameterSet_postAcquisitionSolventSuppressionMethod schema.tmp#SpectrumType_SpectrumType_processingParameterSet_calibrationCompound schema.tmp#SpectrumType_SpectrumType_processingParameterSet_dataTransformationMethod
Properties
content complex
minOccurs 0
Model
Children calibrationCompound, dataTransformationMethod, postAcquisitionSolventSuppressionMethod
Instance
 
<processingParameterSet xmlns="http://nmrml.org/schema">
  <postAcquisitionSolventSuppressionMethod accession="" cvRef="" name="">{0,1}</postAcquisitionSolventSuppressionMethod>
  <calibrationCompound accession="" cvRef="" name="">{0,1}</calibrationCompound>
  <dataTransformationMethod accession="" cvRef="" name="">{0,1}</dataTransformationMethod>
</processingParameterSet>
Source
 
<xs:element name="processingParameterSet" minOccurs="0">
  <xs:annotation>
    <xs:documentation>Optional information about processing that was used to create the frequency domain spectrum.</xs:documentation>
  </xs:annotation>
  <xs:complexType>
    <xs:sequence>
      <xs:element name="postAcquisitionSolventSuppressionMethod" type="CVTermType" minOccurs="0">
        <xs:annotation>
          <xs:documentation>The method used for post acquisition solvent suppression.</xs:documentation>
        </xs:annotation>
      </xs:element>
      <xs:element name="calibrationCompound" type="CVTermType" minOccurs="0"/>
      <xs:element name="dataTransformationMethod" type="CVTermType" minOccurs="0">
        <xs:annotation>
          <xs:documentation>The method used for time-based to frequency-based data transformation.</xs:documentation>
        </xs:annotation>
      </xs:element>
    </xs:sequence>
  </xs:complexType>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumType / processingParameterSet / postAcquisitionSolventSuppressionMethod
Namespace http://nmrml.org/schema
Annotations
 
The method used for post acquisition solvent
suppression.
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
minOccurs 0
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="postAcquisitionSolventSuppressionMethod" type="CVTermType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The method used for post acquisition solvent suppression.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumType / processingParameterSet / calibrationCompound
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
minOccurs 0
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="calibrationCompound" type="CVTermType" minOccurs="0"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumType / processingParameterSet / dataTransformationMethod
Namespace http://nmrml.org/schema
Annotations
 
The method used for time-based to frequency-based data transformation.
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
minOccurs 0
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="dataTransformationMethod" type="CVTermType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The method used for time-based to frequency-based data transformation.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element Spectrum1DType / firstDimensionProcessingParameterSet
Namespace http://nmrml.org/schema
Annotations
 
Optional additional information about processing that was used to create the frequency domain spectrum. This information is relevant to the first dimension of data only.
Diagram
Diagram schema.tmp#FirstDimensionProcessingParameterSetType_zeroOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_firstOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_calibrationReferenceShift schema.tmp#FirstDimensionProcessingParameterSetType_spectralDenoisingMethod schema.tmp#FirstDimensionProcessingParameterSetType_windowFunction schema.tmp#FirstDimensionProcessingParameterSetType_baselineCorrectionMethod schema.tmp#FirstDimensionProcessingParameterSetType
Type FirstDimensionProcessingParameterSetType
Properties
content complex
minOccurs 0
Model
Children baselineCorrectionMethod, calibrationReferenceShift, firstOrderPhaseCorrection, spectralDenoisingMethod, windowFunction, zeroOrderPhaseCorrection
Instance
 
<firstDimensionProcessingParameterSet xmlns="http://nmrml.org/schema">
  <zeroOrderPhaseCorrection unitAccession="" unitCvRef="" unitName="" value="">{0,1}</zeroOrderPhaseCorrection>
  <firstOrderPhaseCorrection unitAccession="" unitCvRef="" unitName="" value="">{0,1}</firstOrderPhaseCorrection>
  <calibrationReferenceShift unitAccession="" unitCvRef="" unitName="" value="">{0,1}</calibrationReferenceShift>
  <spectralDenoisingMethod accession="" cvRef="" name="">{0,1}</spectralDenoisingMethod>
  <windowFunction>{0,unbounded}</windowFunction>
  <baselineCorrectionMethod accession="" cvRef="" name="">{0,1}</baselineCorrectionMethod>
</firstDimensionProcessingParameterSet>
Source
 
<xs:element name="firstDimensionProcessingParameterSet" type="FirstDimensionProcessingParameterSetType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>Optional additional information about processing that was used to create the frequency domain spectrum. This information is relevant to the first dimension of data only.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element FirstDimensionProcessingParameterSetType / zeroOrderPhaseCorrection
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 0
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="0" name="zeroOrderPhaseCorrection" type="ValueWithUnitType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element FirstDimensionProcessingParameterSetType / firstOrderPhaseCorrection
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 0
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="0" name="firstOrderPhaseCorrection" type="ValueWithUnitType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element FirstDimensionProcessingParameterSetType / calibrationReferenceShift
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 0
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="0" name="calibrationReferenceShift" type="ValueWithUnitType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element FirstDimensionProcessingParameterSetType / spectralDenoisingMethod
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
minOccurs 0
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="spectralDenoisingMethod" type="CVTermType" minOccurs="0"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element FirstDimensionProcessingParameterSetType / windowFunction
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#FirstDimensionProcessingParameterSetType_FirstDimensionProcessingParameterSetType_windowFunction_windowFunctionMethod schema.tmp#FirstDimensionProcessingParameterSetType_FirstDimensionProcessingParameterSetType_windowFunction_windowFunctionParameter
Properties
content complex
minOccurs 0
maxOccurs unbounded
Model
Children windowFunctionMethod, windowFunctionParameter
Instance
 
<windowFunction xmlns="http://nmrml.org/schema">
  <windowFunctionMethod accession="" cvRef="" name="">{1,1}</windowFunctionMethod>
  <windowFunctionParameter accession="" cvRef="" name="" value="">{1,unbounded}</windowFunctionParameter>
</windowFunction>
Source
 
<xs:element maxOccurs="unbounded" minOccurs="0" name="windowFunction">
  <xs:complexType>
    <xs:sequence maxOccurs="1" minOccurs="1">
      <xs:element name="windowFunctionMethod" type="CVTermType"/>
      <xs:element maxOccurs="unbounded" minOccurs="1" name="windowFunctionParameter" type="CVParamType">
        <xs:annotation>
          <xs:documentation>The parameters used in the window function method.</xs:documentation>
        </xs:annotation>
      </xs:element>
    </xs:sequence>
  </xs:complexType>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element FirstDimensionProcessingParameterSetType / windowFunction / windowFunctionMethod
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="windowFunctionMethod" type="CVTermType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element FirstDimensionProcessingParameterSetType / windowFunction / windowFunctionParameter
Namespace http://nmrml.org/schema
Annotations
 
The parameters used in the window function
method.
Diagram
Diagram NO_NAMESPACE.tmp#CVParamType_cvRef NO_NAMESPACE.tmp#CVParamType_accession NO_NAMESPACE.tmp#CVParamType_name NO_NAMESPACE.tmp#CVParamType_value schema.tmp#CVParamType
Type CVParamType
Properties
content complex
minOccurs 1
maxOccurs unbounded
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
value xs:string optional 
The value for the parameter; may be absent if not appropriate, or a
numeric or symbolic value, or may itself be CV (legal values for a parameter should be
enumerated and defined in the ontology).
Source
 
<xs:element maxOccurs="unbounded" minOccurs="1" name="windowFunctionParameter" type="CVParamType">
  <xs:annotation>
    <xs:documentation>The parameters used in the window function method.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element FirstDimensionProcessingParameterSetType / baselineCorrectionMethod
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
minOccurs 0
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="baselineCorrectionMethod" type="CVTermType" minOccurs="0"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumListType / spectrumMultiD
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SpectrumType_numberOfDataPoints NO_NAMESPACE.tmp#SpectrumType_id NO_NAMESPACE.tmp#SpectrumType_name schema.tmp#SpectrumType_processingSoftwareRefList schema.tmp#SpectrumType_processingParameterFileRefList schema.tmp#SpectrumType_spectrumDataArray schema.tmp#SpectrumType_xAxis schema.tmp#SpectrumType_processingParameterSet schema.tmp#SpectrumType schema.tmp#SpectrumMultiDType_firstDimensionProcessingParameterSet schema.tmp#SpectrumMultiDType_higherDimensionProcessingParameterSet schema.tmp#SpectrumMultiDType_projected3DProcessingParamaterSet schema.tmp#SpectrumMultiDType
Type SpectrumMultiDType
Type hierarchy
Properties
content complex
minOccurs 0
maxOccurs unbounded
Model
Children firstDimensionProcessingParameterSet, higherDimensionProcessingParameterSet, processingParameterFileRefList, processingParameterSet, processingSoftwareRefList, projected3DProcessingParamaterSet, spectrumDataArray, xAxis
Instance
 
<spectrumMultiD id="" name="" numberOfDataPoints="" xmlns="http://nmrml.org/schema">
  <processingSoftwareRefList>{0,1}</processingSoftwareRefList>
  <processingParameterFileRefList>{0,1}</processingParameterFileRefList>
  <spectrumDataArray byteFormat="" compressed="" encodedLength="">{1,1}</spectrumDataArray>
  <xAxis endValue="" startValue="" unitAccession="" unitCvRef="" unitName="">{1,1}</xAxis>
  <processingParameterSet>{0,1}</processingParameterSet>
  <firstDimensionProcessingParameterSet>{1,1}</firstDimensionProcessingParameterSet>
  <higherDimensionProcessingParameterSet>{1,2}</higherDimensionProcessingParameterSet>
  <projected3DProcessingParamaterSet positiveProjectionMethod="" projectionAngle="">{0,1}</projected3DProcessingParamaterSet>
</spectrumMultiD>
Attributes
QName Type Use Annotation
id xs:ID required 
An ID for the spectrum so that it can be referenced within the file for spectrum annotations.
name xs:string optional 
A (optional) name so that it can be differentiated other than by its rank if multiple spectra are embedded within the file
numberOfDataPoints xs:integer required 
The number of (x,y) points in the spectrum. This is needed to read the binary data.
Source
 
<xs:element name="spectrumMultiD" type="SpectrumMultiDType" maxOccurs="unbounded" minOccurs="0"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumMultiDType / firstDimensionProcessingParameterSet
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#FirstDimensionProcessingParameterSetType_zeroOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_firstOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_calibrationReferenceShift schema.tmp#FirstDimensionProcessingParameterSetType_spectralDenoisingMethod schema.tmp#FirstDimensionProcessingParameterSetType_windowFunction schema.tmp#FirstDimensionProcessingParameterSetType_baselineCorrectionMethod schema.tmp#FirstDimensionProcessingParameterSetType
Type FirstDimensionProcessingParameterSetType
Properties
content complex
Model
Children baselineCorrectionMethod, calibrationReferenceShift, firstOrderPhaseCorrection, spectralDenoisingMethod, windowFunction, zeroOrderPhaseCorrection
Instance
 
<firstDimensionProcessingParameterSet xmlns="http://nmrml.org/schema">
  <zeroOrderPhaseCorrection unitAccession="" unitCvRef="" unitName="" value="">{0,1}</zeroOrderPhaseCorrection>
  <firstOrderPhaseCorrection unitAccession="" unitCvRef="" unitName="" value="">{0,1}</firstOrderPhaseCorrection>
  <calibrationReferenceShift unitAccession="" unitCvRef="" unitName="" value="">{0,1}</calibrationReferenceShift>
  <spectralDenoisingMethod accession="" cvRef="" name="">{0,1}</spectralDenoisingMethod>
  <windowFunction>{0,unbounded}</windowFunction>
  <baselineCorrectionMethod accession="" cvRef="" name="">{0,1}</baselineCorrectionMethod>
</firstDimensionProcessingParameterSet>
Source
 
<xs:element name="firstDimensionProcessingParameterSet" type="FirstDimensionProcessingParameterSetType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumMultiDType / higherDimensionProcessingParameterSet
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#FirstDimensionProcessingParameterSetType_zeroOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_firstOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_calibrationReferenceShift schema.tmp#FirstDimensionProcessingParameterSetType_spectralDenoisingMethod schema.tmp#FirstDimensionProcessingParameterSetType_windowFunction schema.tmp#FirstDimensionProcessingParameterSetType_baselineCorrectionMethod schema.tmp#FirstDimensionProcessingParameterSetType schema.tmp#HigherDimensionProcessingParameterSetType
Type HigherDimensionProcessingParameterSetType
Type hierarchy
Properties
content complex
maxOccurs 2
Model
Children baselineCorrectionMethod, calibrationReferenceShift, firstOrderPhaseCorrection, spectralDenoisingMethod, windowFunction, zeroOrderPhaseCorrection
Instance
 
<higherDimensionProcessingParameterSet xmlns="http://nmrml.org/schema">
  <zeroOrderPhaseCorrection unitAccession="" unitCvRef="" unitName="" value="">{0,1}</zeroOrderPhaseCorrection>
  <firstOrderPhaseCorrection unitAccession="" unitCvRef="" unitName="" value="">{0,1}</firstOrderPhaseCorrection>
  <calibrationReferenceShift unitAccession="" unitCvRef="" unitName="" value="">{0,1}</calibrationReferenceShift>
  <spectralDenoisingMethod accession="" cvRef="" name="">{0,1}</spectralDenoisingMethod>
  <windowFunction>{0,unbounded}</windowFunction>
  <baselineCorrectionMethod accession="" cvRef="" name="">{0,1}</baselineCorrectionMethod>
</higherDimensionProcessingParameterSet>
Source
 
<xs:element maxOccurs="2" name="higherDimensionProcessingParameterSet" type="HigherDimensionProcessingParameterSetType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumMultiDType / projected3DProcessingParamaterSet
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#Projected3DProcessingParamaterSetType_projectionAngle NO_NAMESPACE.tmp#Projected3DProcessingParamaterSetType_positiveProjectionMethod schema.tmp#Projected3DProcessingParamaterSetType
Type Projected3DProcessingParamaterSetType
Properties
content complex
minOccurs 0
maxOccurs 1
Attributes
QName Type Use
positiveProjectionMethod xs:boolean optional
projectionAngle xs:double optional
Source
 
<xs:element maxOccurs="1" minOccurs="0" name="projected3DProcessingParamaterSet" type="Projected3DProcessingParamaterSetType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element nmrMLType / spectrumAnnotationList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#SpectrumAnnotationListType_atomAssignment schema.tmp#SpectrumAnnotationListType_quantification schema.tmp#SpectrumAnnotationListType
Type SpectrumAnnotationListType
Properties
content complex
minOccurs 0
Model
Children atomAssignment, quantification
Instance
 
<spectrumAnnotationList xmlns="http://nmrml.org/schema">
  <atomAssignment spectrumRef="">{0,1}</atomAssignment>
  <quantification spectrumRef="">{0,1}</quantification>
</spectrumAnnotationList>
Source
 
<xs:element minOccurs="0" name="spectrumAnnotationList" type="SpectrumAnnotationListType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumAnnotationListType / atomAssignment
Namespace http://nmrml.org/schema
Annotations
 
An annotation for assigning atoms in a chemical structure to peaks in a spectrum.
Diagram
Diagram NO_NAMESPACE.tmp#AtomAssingmentAnnotationType_spectrumRef schema.tmp#AtomAssingmentAnnotationType_chemicalCompound schema.tmp#AtomAssingmentAnnotationType_atomAssignmentList schema.tmp#AtomAssingmentAnnotationType
Type AtomAssingmentAnnotationType
Properties
content complex
minOccurs 0
Model
Children atomAssignmentList, chemicalCompound
Instance
 
<atomAssignment spectrumRef="" xmlns="http://nmrml.org/schema">
  <chemicalCompound name="">{1,1}</chemicalCompound>
  <atomAssignmentList>{0,1}</atomAssignmentList>
</atomAssignment>
Attributes
QName Type Use Annotation
spectrumRef xs:IDREF required 
A reference to the id of the spectrum that this annotation is for.
Source
 
<xs:element name="atomAssignment" minOccurs="0" type="AtomAssingmentAnnotationType">
  <xs:annotation>
    <xs:documentation>An annotation for assigning atoms in a chemical structure to peaks in a spectrum.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AtomAssingmentAnnotationType / chemicalCompound
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ChemicalCompoundType_name schema.tmp#ChemicalCompoundType_identifierList schema.tmp#ChemicalCompoundType_structure schema.tmp#ChemicalCompoundType
Type ChemicalCompoundType
Properties
content complex
Model
Children identifierList, structure
Instance
 
<chemicalCompound name="" xmlns="http://nmrml.org/schema">
  <identifierList>{0,1}</identifierList>
  <structure>{0,1}</structure>
</chemicalCompound>
Attributes
QName Type Use
name optional
Source
 
<xs:element name="chemicalCompound" type="ChemicalCompoundType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ChemicalCompoundType / identifierList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#CompoundIdentifierListType_identifier schema.tmp#CompoundIdentifierListType_databaseIdentifier schema.tmp#CompoundIdentifierListType
Type CompoundIdentifierListType
Properties
content complex
minOccurs 0
Model
Children databaseIdentifier, identifier
Instance
 
<identifierList xmlns="http://nmrml.org/schema">
  <identifier accession="" cvRef="" name="">{0,unbounded}</identifier>
  <databaseIdentifier identifier="" URI="">{0,unbounded}</databaseIdentifier>
</identifierList>
Source
 
<xs:element name="identifierList" type="CompoundIdentifierListType" minOccurs="0">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element CompoundIdentifierListType / identifier
Namespace http://nmrml.org/schema
Annotations
 
Captures compound identifiers coming from an ontology. Usually CHEBI. 

Example:<compoundIdentifier accession="CHEBI:16449" cvRef="CHEBI"/>
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element maxOccurs="unbounded" minOccurs="0" name="identifier" type="CVTermType">
  <xs:annotation>
    <xs:documentation>Captures compound identifiers coming from an ontology. Usually CHEBI. Example:
      <compoundIdentifier accession="CHEBI:16449" cvRef="CHEBI"/>
    </xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element CompoundIdentifierListType / databaseIdentifier
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CompoundDatabaseIdentifierType_identifier NO_NAMESPACE.tmp#CompoundDatabaseIdentifierType_URI schema.tmp#CompoundDatabaseIdentifierType
Type CompoundDatabaseIdentifierType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use
URI required
identifier required
Source
 
<xs:element maxOccurs="unbounded" minOccurs="0" name="databaseIdentifier" type="CompoundDatabaseIdentifierType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ChemicalCompoundType / structure
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#CompoundStructureType_atomList schema.tmp#CompoundStructureType_bondList schema.tmp#CompoundStructureType
Type CompoundStructureType
Properties
content complex
minOccurs 0
Model
Children atomList, bondList
Instance
 
<structure xmlns="http://nmrml.org/schema">
  <atomList>{1,1}</atomList>
  <bondList>{1,1}</bondList>
</structure>
Source
 
<xs:element name="structure" type="CompoundStructureType" minOccurs="0">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element CompoundStructureType / atomList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#AtomListType_atom schema.tmp#AtomListType
Type AtomListType
Properties
content complex
minOccurs 1
maxOccurs 1
Model
Children atom
Instance
 
<atomList xmlns="http://nmrml.org/schema">
  <atom elementType="" id="" x="" y="">{1,unbounded}</atom>
</atomList>
Source
 
<xs:element name="atomList" maxOccurs="1" minOccurs="1" type="AtomListType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AtomListType / atom
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#AtomType_id NO_NAMESPACE.tmp#AtomType_elementType NO_NAMESPACE.tmp#AtomType_x NO_NAMESPACE.tmp#AtomType_y schema.tmp#AtomType
Type AtomType
Properties
content complex
maxOccurs unbounded
Attributes
QName Type Use Annotation
elementType required 
The symbol for the element. For example: "H","C" or "Fe"
id xs:ID required 
An identifier unique to the file only, so that it can be referenced by the bond elements as well as by the spectrum annotations. Most people use "a1", "a2", ... , "aN"
x required 
The x position of the element in cartesian coordinates. The cordinates along with the bond information in the bond list should allow for software to draw a 2D representation of the chemical structure.
y required 
The y position of the element in cartesian coordinates. The cordinates along with the bond information in the bond list should allow for software to draw a 2D representation of the chemical structure.
Source
 
<xs:element maxOccurs="unbounded" name="atom" type="AtomType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element CompoundStructureType / bondList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#BondListType_bond schema.tmp#BondListType
Type BondListType
Properties
content complex
minOccurs 1
maxOccurs 1
Model
Children bond
Instance
 
<bondList xmlns="http://nmrml.org/schema">
  <bond atomRefs="" order="">{1,unbounded}</bond>
</bondList>
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="bondList" type="BondListType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element BondListType / bond
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#BondType_atomRefs NO_NAMESPACE.tmp#BondType_order schema.tmp#BondType
Type BondType
Properties
content complex
maxOccurs unbounded
Attributes
QName Type Use Annotation
atomRefs required 
Contains a list of atom IDs seperated by a space. The atom ids are the atoms connected by the bond. For example: "a1 a2"
order required 
The order of the bond connecting two atoms. A single bond should be "1", a double bond should be "2", a triple bond should be "3".
Source
 
<xs:element maxOccurs="unbounded" name="bond" type="BondType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AtomAssingmentAnnotationType / atomAssignmentList
Namespace http://nmrml.org/schema
Annotations
 
A list of annotated peak clusters in the spectrum and the atoms that they correspond to.
Diagram
Diagram schema.tmp#AtomAssignmentListType_multiplet schema.tmp#AtomAssignmentListType
Type AtomAssignmentListType
Properties
content complex
minOccurs 0
Model
Children multiplet
Instance
 
<atomAssignmentList xmlns="http://nmrml.org/schema">
  <multiplet center="">{1,unbounded}</multiplet>
</atomAssignmentList>
Source
 
<xs:element name="atomAssignmentList" type="AtomAssignmentListType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>A list of annotated peak clusters in the spectrum and the atoms that they correspond to.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AtomAssignmentListType / multiplet
Namespace http://nmrml.org/schema
Annotations
 
A cluster of 1 or more peaks that corresponds to specific atoms in a chemical structure.
Diagram
Diagram NO_NAMESPACE.tmp#MultipletType_center schema.tmp#MultipletType_atoms schema.tmp#MultipletType_multiplicity schema.tmp#MultipletType_peakList schema.tmp#MultipletType
Type MultipletType
Properties
content complex
maxOccurs unbounded
Model
Children atoms, multiplicity, peakList
Instance
 
<multiplet center="" xmlns="http://nmrml.org/schema">
  <atoms atomRefs="">{1,1}</atoms>
  <multiplicity accession="" cvRef="" name="">{1,1}</multiplicity>
  <peakList>{0,1}</peakList>
</multiplet>
Attributes
QName Type Use Annotation
center required 
The center of the multiplet in ppm.
Source
 
<xs:element maxOccurs="unbounded" name="multiplet" type="MultipletType">
  <xs:annotation>
    <xs:documentation>A cluster of 1 or more peaks that corresponds to specific atoms in a chemical structure.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element MultipletType / atoms
Namespace http://nmrml.org/schema
Annotations
 
Lists the atomRefs for atoms in the chemical structure that contribute to the multiplet.

If the corresponding atoms are unknown than the list can be blank.
Diagram
Diagram NO_NAMESPACE.tmp#AtomRefsType_atomRefs schema.tmp#AtomRefsType
Type AtomRefsType
Properties
content complex
Attributes
QName Type Use
atomRefs optional
Source
 
<xs:element name="atoms" type="AtomRefsType">
  <xs:annotation>
    <xs:documentation>Lists the atomRefs for atoms in the chemical structure that contribute to the multiplet. If the corresponding atoms are unknown than the list can be blank.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element MultipletType / multiplicity
Namespace http://nmrml.org/schema
Annotations
 
A description of the type of multiplet that is annotated. For exmample a singlet, a doublet, a doublet of doublets, etc.
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="multiplicity" type="CVTermType">
  <xs:annotation>
    <xs:documentation>A description of the type of multiplet that is annotated. For exmample a singlet, a doublet, a doublet of doublets, etc.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element MultipletType / peakList
Namespace http://nmrml.org/schema
Annotations
 
A list of the positions and amplitudes of the peaks in the multiplet. Optional if the peaks are not identified. In which case the 'center' attribute offers a hint for annotation.
Diagram
Diagram schema.tmp#PeakListType_peak schema.tmp#PeakListType
Type PeakListType
Properties
content complex
minOccurs 0
Model
Children peak
Instance
 
<peakList xmlns="http://nmrml.org/schema">
  <peak amplitude="" center="" width="">{1,unbounded}</peak>
</peakList>
Source
 
<xs:element name="peakList" type="PeakListType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>A list of the positions and amplitudes of the peaks in the multiplet. Optional if the peaks are not identified. In which case the 'center' attribute offers a hint for annotation.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element PeakListType / peak
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#PeakType_center NO_NAMESPACE.tmp#PeakType_amplitude NO_NAMESPACE.tmp#PeakType_width schema.tmp#PeakType
Type PeakType
Properties
content complex
maxOccurs unbounded
Attributes
QName Type Use
amplitude optional
center required
width optional
Source
 
<xs:element maxOccurs="unbounded" name="peak" type="PeakType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumAnnotationListType / quantification
Namespace http://nmrml.org/schema
Annotations
 
An annotation for capturing the quantification of a complex mixture in an NMR experiment. The annotation captures the alighnment of clusters of peaks to the spectrum, the associated chemical compounds, and the quantification information.
Diagram
Diagram NO_NAMESPACE.tmp#QuantificationAnnotationType_spectrumRef schema.tmp#QuantificationAnnotationType_quantificationMethod schema.tmp#QuantificationAnnotationType_quantifiedCompoundList schema.tmp#QuantificationAnnotationType
Type QuantificationAnnotationType
Properties
content complex
minOccurs 0
Model
Children quantificationMethod, quantifiedCompoundList
Instance
 
<quantification spectrumRef="" xmlns="http://nmrml.org/schema">
  <quantificationMethod accession="" cvRef="" name="">{1,1}</quantificationMethod>
  <quantifiedCompoundList>{1,1}</quantifiedCompoundList>
</quantification>
Attributes
QName Type Use Annotation
spectrumRef xs:IDREF required 
A reference to the id of the spectrum that this annotation is for.
Source
 
<xs:element minOccurs="0" name="quantification" type="QuantificationAnnotationType">
  <xs:annotation>
    <xs:documentation>An annotation for capturing the quantification of a complex mixture in an NMR experiment. The annotation captures the alighnment of clusters of peaks to the spectrum, the associated chemical compounds, and the quantification information.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element QuantificationAnnotationType / quantificationMethod
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="quantificationMethod" type="CVTermType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element QuantificationAnnotationType / quantifiedCompoundList
Namespace http://nmrml.org/schema
Annotations
 
A list of the quantified chemical compounds and the associated information about clusters of peaks in the spectrum.
Diagram
Diagram schema.tmp#QuantifiedCompoundListType_quantifiedCompound schema.tmp#QuantifiedCompoundListType
Type QuantifiedCompoundListType
Properties
content complex
Model
Children quantifiedCompound
Instance
 
<quantifiedCompoundList xmlns="http://nmrml.org/schema">
  <quantifiedCompound name="">{1,unbounded}</quantifiedCompound>
</quantifiedCompoundList>
Source
 
<xs:element name="quantifiedCompoundList" type="QuantifiedCompoundListType">
  <xs:annotation>
    <xs:documentation>A list of the quantified chemical compounds and the associated information about clusters of peaks in the spectrum.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element QuantifiedCompoundListType / quantifiedCompound
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ChemicalCompoundType_name schema.tmp#ChemicalCompoundType_identifierList schema.tmp#ChemicalCompoundType_structure schema.tmp#ChemicalCompoundType schema.tmp#QuantifiedCompoundType_concentration schema.tmp#QuantifiedCompoundType_clusterList schema.tmp#QuantifiedCompoundType_peakList schema.tmp#QuantifiedCompoundType
Type QuantifiedCompoundType
Type hierarchy
Properties
content complex
maxOccurs unbounded
Model
Children clusterList, concentration, identifierList, peakList, structure
Instance
 
<quantifiedCompound name="" xmlns="http://nmrml.org/schema">
  <identifierList>{0,1}</identifierList>
  <structure>{0,1}</structure>
  <concentration unitAccession="" unitCvRef="" unitName="" value="">{1,1}</concentration>
  <clusterList>{0,1}</clusterList>
  <peakList>{0,1}</peakList>
</quantifiedCompound>
Attributes
QName Type Use
name optional
Source
 
<xs:element maxOccurs="unbounded" name="quantifiedCompound" type="QuantifiedCompoundType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element QuantifiedCompoundType / concentration
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element name="concentration" type="ValueWithUnitType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element QuantifiedCompoundType / clusterList
Namespace http://nmrml.org/schema
Annotations
 
A list of clusters of peaks that are aligned with the spectrum for quantification.
Diagram
Diagram schema.tmp#ClusterListType_cluster schema.tmp#ClusterListType
Type ClusterListType
Properties
content complex
minOccurs 0
Model
Children cluster
Instance
 
<clusterList xmlns="http://nmrml.org/schema">
  <cluster center="" shift="">{1,unbounded}</cluster>
</clusterList>
Source
 
<xs:element minOccurs="0" name="clusterList" type="ClusterListType">
  <xs:annotation>
    <xs:documentation>A list of clusters of peaks that are aligned with the spectrum for quantification.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ClusterListType / cluster
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ClusterType_center NO_NAMESPACE.tmp#ClusterType_shift schema.tmp#ClusterType_peakList schema.tmp#ClusterType
Type ClusterType
Properties
content complex
maxOccurs unbounded
Model
Children peakList
Instance
 
<cluster center="" shift="" xmlns="http://nmrml.org/schema">
  <peakList>{1,1}</peakList>
</cluster>
Attributes
QName Type Use
center optional
shift optional
Source
 
<xs:element maxOccurs="unbounded" name="cluster" type="ClusterType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element ClusterType / peakList
Namespace http://nmrml.org/schema
Annotations
 
A list of the positions and amplitudes of the peaks in the multiplet. Optional if the peaks are not identified. In which case the 'center' attribute offers a hint for annotation.
Diagram
Diagram schema.tmp#PeakListType_peak schema.tmp#PeakListType
Type PeakListType
Properties
content complex
Model
Children peak
Instance
 
<peakList xmlns="http://nmrml.org/schema">
  <peak amplitude="" center="" width="">{1,unbounded}</peak>
</peakList>
Source
 
<xs:element name="peakList" type="PeakListType">
  <xs:annotation>
    <xs:documentation>A list of the positions and amplitudes of the peaks in the multiplet. Optional if the peaks are not identified. In which case the 'center' attribute offers a hint for annotation.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element QuantifiedCompoundType / peakList
Namespace http://nmrml.org/schema
Annotations
 
A list of the positions and amplitudes of the peaks that are associated with the compound. This is an alternative to the cluster list for the case where you want to record a fit but discard some of the information about the library you used to fit the spectrum.
Diagram
Diagram schema.tmp#PeakListType_peak schema.tmp#PeakListType
Type PeakListType
Properties
content complex
minOccurs 0
Model
Children peak
Instance
 
<peakList xmlns="http://nmrml.org/schema">
  <peak amplitude="" center="" width="">{1,unbounded}</peak>
</peakList>
Source
 
<xs:element name="peakList" type="PeakListType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>A list of the positions and amplitudes of the peaks that are associated with the compound. This is an alternative to the cluster list for the case where you want to record a fit but discard some of the information about the library you used to fit the spectrum.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SourceFileRefListType / sourceFileRef
Namespace http://nmrml.org/schema
Annotations
 
Reference to a previously defined sourceFile.
Diagram
Diagram NO_NAMESPACE.tmp#SourceFileRefType_ref schema.tmp#SourceFileRefType
Type SourceFileRefType
Properties
content complex
minOccurs 0
maxOccurs unbounded
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must reference the 'id' of the appropriate
sourceFile.
Source
 
<xs:element minOccurs="0" maxOccurs="unbounded" name="sourceFileRef" type="dx:SourceFileRefType">
  <xs:annotation>
    <xs:documentation>Reference to a previously defined sourceFile.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionIndirectDimensionParameterSetType / acquisitionNucleus
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="acquisitionNucleus" type="CVTermType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionIndirectDimensionParameterSetType / effectiveExcitationField
Namespace http://nmrml.org/schema
Annotations
 
replacing the hardPulse parameter, would be automatically calculated from the procs. If you say the pulse width you also have to specify the excitation angle so this way is more compact/useful
Parsed from Excitation width ?
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="effectiveExcitationField" type="ValueWithUnitType">
  <xs:annotation>
    <xs:documentation>replacing the hardPulse parameter, would be automatically calculated from the procs. If you say the pulse width you also have to specify the excitation angle so this way is more compact/useful Parsed from Excitation width ?</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionIndirectDimensionParameterSetType / sweepWidth
Namespace http://nmrml.org/schema
Annotations
 
TODO should be in ppm and Hz.
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="sweepWidth" type="ValueWithUnitType">
  <xs:annotation>
    <xs:documentation>TODO should be in ppm and Hz.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionIndirectDimensionParameterSetType / timeDomain
Namespace http://nmrml.org/schema
Annotations
 
The time domain for the samples. Allows for capturing off grid points
and non-uniform sampling.
Diagram
Diagram NO_NAMESPACE.tmp#BinaryDataArrayType_compressed NO_NAMESPACE.tmp#BinaryDataArrayType_encodedLength NO_NAMESPACE.tmp#BinaryDataArrayType_byteFormat schema.tmp#BinaryDataArrayType
Type BinaryDataArrayType
Properties
content complex
Attributes
QName Type Use Annotation
byteFormat xs:string required 
TODO format as little endian 64 bit pairs of floats, or 32 bit pairs of floats. See online documentation for decoding examples.
compressed xs:boolean required 
True if the binary data was compressed with zlib before encoding as
base64
encodedLength xs:nonNegativeInteger required 
The number of characters in the base64 string. This is useful for skipping over the string in high throughput applications.
Source
 
<xs:element name="timeDomain" type="BinaryDataArrayType">
  <xs:annotation>
    <xs:documentation>The time domain for the samples. Allows for capturing off grid points and non-uniform sampling.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionIndirectDimensionParameterSetType / encodingMethod
Namespace http://nmrml.org/schema
Annotations
 
The quadrature method.
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="encodingMethod" type="CVTermType">
  <xs:annotation>
    <xs:documentation>The quadrature method.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element AcquisitionIndirectDimensionParameterSetType / irradiationFrequency
Namespace http://nmrml.org/schema
Annotations
 
Frequency in ppm or Hz
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef schema.tmp#ValueWithUnitType
Type ValueWithUnitType
Properties
content complex
minOccurs 1
maxOccurs 1
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="irradiationFrequency" type="ValueWithUnitType">
  <xs:annotation>
    <xs:documentation>Frequency in ppm or Hz</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectrumRefListType / spectrumRef
Namespace http://nmrml.org/schema
Annotations
 
Reference to a previously defined SpectrumType
Diagram
Diagram NO_NAMESPACE.tmp#SpectrumRefType_ref schema.tmp#SpectrumRefType
Type SpectrumRefType
Properties
content complex
maxOccurs unbounded
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must reference the 'id' of the contact node in the
spectrumList.
Source
 
<xs:element maxOccurs="unbounded" name="spectrumRef" type="SpectrumRefType">
  <xs:annotation>
    <xs:documentation>Reference to a previously defined SpectrumType</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectralProcessingParameterSetType / processingSoftwareRefList
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#SoftwareRefListType_softwareRef schema.tmp#SoftwareRefListType
Type SoftwareRefListType
Properties
content complex
minOccurs 1
maxOccurs unbounded
Model
Children softwareRef
Instance
 
<processingSoftwareRefList xmlns="http://nmrml.org/schema">
  <softwareRef ref="">{0,unbounded}</softwareRef>
</processingSoftwareRefList>
Source
 
<xs:element maxOccurs="unbounded" minOccurs="1" name="processingSoftwareRefList" type="SoftwareRefListType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectralProcessingParameterSetType / postAcquisitionSolventSuppressionMethod
Namespace http://nmrml.org/schema
Annotations
 
The method used for post acquisition solvent
suppression.
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="postAcquisitionSolventSuppressionMethod" type="CVTermType">
  <xs:annotation>
    <xs:documentation>The method used for post acquisition solvent suppression.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectralProcessingParameterSetType / dataTransformationMethod
Namespace http://nmrml.org/schema
Annotations
 
The method used for time-based to frequency-based data
tranformation.
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="dataTransformationMethod" type="CVTermType">
  <xs:annotation>
    <xs:documentation>The method used for time-based to frequency-based data tranformation.</xs:documentation>
  </xs:annotation>
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectralProcessingParameterSetType / calibrationCompound
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="calibrationCompound" type="CVTermType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectralProjectionParameterSetType / projectionMethod
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType
Type CVTermType
Properties
content complex
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:element name="projectionMethod" type="CVTermType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectralProcessingParameterSet2DType / directDimensionParameterSet
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#FirstDimensionProcessingParameterSetType_zeroOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_firstOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_calibrationReferenceShift schema.tmp#FirstDimensionProcessingParameterSetType_spectralDenoisingMethod schema.tmp#FirstDimensionProcessingParameterSetType_windowFunction schema.tmp#FirstDimensionProcessingParameterSetType_baselineCorrectionMethod schema.tmp#FirstDimensionProcessingParameterSetType
Type FirstDimensionProcessingParameterSetType
Properties
content complex
minOccurs 1
maxOccurs 1
Model
Children baselineCorrectionMethod, calibrationReferenceShift, firstOrderPhaseCorrection, spectralDenoisingMethod, windowFunction, zeroOrderPhaseCorrection
Instance
 
<directDimensionParameterSet xmlns="http://nmrml.org/schema">
  <zeroOrderPhaseCorrection unitAccession="" unitCvRef="" unitName="" value="">{0,1}</zeroOrderPhaseCorrection>
  <firstOrderPhaseCorrection unitAccession="" unitCvRef="" unitName="" value="">{0,1}</firstOrderPhaseCorrection>
  <calibrationReferenceShift unitAccession="" unitCvRef="" unitName="" value="">{0,1}</calibrationReferenceShift>
  <spectralDenoisingMethod accession="" cvRef="" name="">{0,1}</spectralDenoisingMethod>
  <windowFunction>{0,unbounded}</windowFunction>
  <baselineCorrectionMethod accession="" cvRef="" name="">{0,1}</baselineCorrectionMethod>
</directDimensionParameterSet>
Source
 
<xs:element maxOccurs="1" minOccurs="1" name="directDimensionParameterSet" type="FirstDimensionProcessingParameterSetType">
</xs:element>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Element SpectralProcessingParameterSet2DType / higherDimensionParameterSet
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#FirstDimensionProcessingParameterSetType_zeroOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_firstOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_calibrationReferenceShift schema.tmp#FirstDimensionProcessingParameterSetType_spectralDenoisingMethod schema.tmp#FirstDimensionProcessingParameterSetType_windowFunction schema.tmp#FirstDimensionProcessingParameterSetType_baselineCorrectionMethod schema.tmp#FirstDimensionProcessingParameterSetType schema.tmp#HigherDimensionProcessingParameterSetType
Type HigherDimensionProcessingParameterSetType
Type hierarchy
Properties
content complex
minOccurs 1
maxOccurs 2
Model
Children baselineCorrectionMethod, calibrationReferenceShift, firstOrderPhaseCorrection, spectralDenoisingMethod, windowFunction, zeroOrderPhaseCorrection
Instance
 
<higherDimensionParameterSet xmlns="http://nmrml.org/schema">
  <zeroOrderPhaseCorrection unitAccession="" unitCvRef="" unitName="" value="">{0,1}</zeroOrderPhaseCorrection>
  <firstOrderPhaseCorrection unitAccession="" unitCvRef="" unitName="" value="">{0,1}</firstOrderPhaseCorrection>
  <calibrationReferenceShift unitAccession="" unitCvRef="" unitName="" value="">{0,1}</calibrationReferenceShift>
  <spectralDenoisingMethod accession="" cvRef="" name="">{0,1}</spectralDenoisingMethod>
  <windowFunction>{0,unbounded}</windowFunction>
  <baselineCorrectionMethod accession="" cvRef="" name="">{0,1}</baselineCorrectionMethod>
</higherDimensionParameterSet>
Source
 
<xs:element maxOccurs="2" minOccurs="1" name="higherDimensionParameterSet" type="HigherDimensionProcessingParameterSetType"/>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type nmrMLType
Namespace http://nmrml.org/schema
Annotations
 
This is the root element for the COordination Of Standards In MetabOlomicS
nmrML schema, which is intended to capture the use of a nuclear magnetic resonance
spectrometer, the data generated, and the initial processing of that data (to the level of
the peak list).
Diagram
Diagram NO_NAMESPACE.tmp#nmrMLType_version NO_NAMESPACE.tmp#nmrMLType_accession NO_NAMESPACE.tmp#nmrMLType_accession_url NO_NAMESPACE.tmp#nmrMLType_id schema.tmp#nmrMLType_cvList schema.tmp#nmrMLType_fileDescription schema.tmp#nmrMLType_contactList schema.tmp#nmrMLType_referenceableParamGroupList schema.tmp#nmrMLType_sourceFileList schema.tmp#nmrMLType_softwareList schema.tmp#nmrMLType_instrumentConfigurationList schema.tmp#nmrMLType_sampleList schema.tmp#nmrMLType_acquisition schema.tmp#nmrMLType_spectrumList schema.tmp#nmrMLType_spectrumAnnotationList
Used by
Element nmrML
Model
Children acquisition, contactList, cvList, fileDescription, instrumentConfigurationList, referenceableParamGroupList, sampleList, softwareList, sourceFileList, spectrumAnnotationList, spectrumList
Attributes
QName Type Use Annotation
accession xs:string optional 
Optional accession number for the nmrML document. Used for storage (for
example MetaboLights)
accession_url xs:anyURI optional 
Optional attribute for retrieva of an nmrML document. Usefull when the
document has been retrieved from a public database.
id xs:string optional 
An optional ID for the nmrML document.
version xs:string required 
The nmrML version used to create the document.
Source
 
<xs:complexType name="nmrMLType">
  <xs:annotation>
    <xs:documentation>This is the root element for the COordination Of Standards In MetabOlomicS nmrML schema, which is intended to capture the use of a nuclear magnetic resonance spectrometer, the data generated, and the initial processing of that data (to the level of the peak list).</xs:documentation>
  </xs:annotation>
  <xs:sequence>
    <xs:element name="cvList" type="dx:CVListType"/>
    <xs:element name="fileDescription" type="FileDescriptionType"/>
    <xs:element maxOccurs="1" minOccurs="0" name="contactList" type="ContactListType"/>
    <xs:element minOccurs="0" name="referenceableParamGroupList" type="ReferenceableParamGroupListType"/>
    <xs:element minOccurs="0" name="sourceFileList" type="SourceFileListType"/>
    <xs:element name="softwareList" type="SoftwareListType" minOccurs="0"/>
    <xs:element name="instrumentConfigurationList" type="InstrumentConfigurationListType"/>
    <xs:element minOccurs="0" name="sampleList" type="SampleListType"/>
    <xs:element name="acquisition" type="AcquisitionType"/>
    <xs:element minOccurs="0" name="spectrumList" type="SpectrumListType">
      <xs:annotation>
        <xs:documentation>A list of frequency domain spectrum data as well as information about how the spectrum was processed. There can be more than one do to different techniques for processing the FID data.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element minOccurs="0" name="spectrumAnnotationList" type="SpectrumAnnotationListType"/>
  </xs:sequence>
  <xs:attribute name="version" type="xs:string" use="required">
    <xs:annotation>
      <xs:documentation>The nmrML version used to create the document.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="accession" type="xs:string">
    <xs:annotation>
      <xs:documentation>Optional accession number for the nmrML document. Used for storage (for example MetaboLights)</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="accession_url" type="xs:anyURI">
    <xs:annotation>
      <xs:documentation>Optional attribute for retrieva of an nmrML document. Usefull when the document has been retrieved from a public database.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="id" type="xs:string">
    <xs:annotation>
      <xs:documentation>An optional ID for the nmrML document.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type CVListType
Namespace http://nmrml.org/schema
Annotations
 
Container for one or more controlled vocabulary
definitions.
Diagram
Diagram schema.tmp#CVListType_cv
Used by
Model
Children cv
Source
 
<xs:complexType name="CVListType">
  <xs:annotation>
    <xs:documentation>Container for one or more controlled vocabulary definitions.</xs:documentation>
  </xs:annotation>
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="cv" type="dx:CVType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type CVType
Namespace http://nmrml.org/schema
Annotations
 
Information about an ontology or CV source and a short 'lookup' tag to refer
to.
Diagram
Diagram NO_NAMESPACE.tmp#CVType_id NO_NAMESPACE.tmp#CVType_fullName NO_NAMESPACE.tmp#CVType_version NO_NAMESPACE.tmp#CVType_URI
Used by
Element CVListType/cv
Attributes
QName Type Use Annotation
URI xs:anyURI required 
The URI for the resource.
fullName xs:string required 
The usual name for the resource (e.g. The MSI-NMR Controlled
Vocabulary).
id xs:ID required 
The short label to be used as a reference tag with which to refer to this
particular Controlled Vocabulary source description (e.g., from the cvLabel attribute, in
CVParamType elements).
version xs:string optional 
The version of the CV from which the referred-to terms are
drawn.
Source
 
<xs:complexType name="CVType">
  <xs:annotation>
    <xs:documentation>Information about an ontology or CV source and a short 'lookup' tag to refer to.</xs:documentation>
  </xs:annotation>
  <xs:attribute name="id" type="xs:ID" use="required">
    <xs:annotation>
      <xs:documentation>The short label to be used as a reference tag with which to refer to this particular Controlled Vocabulary source description (e.g., from the cvLabel attribute, in CVParamType elements).</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="fullName" type="xs:string" use="required">
    <xs:annotation>
      <xs:documentation>The usual name for the resource (e.g. The MSI-NMR Controlled Vocabulary).</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="version" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>The version of the CV from which the referred-to terms are drawn.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="URI" type="xs:anyURI" use="required">
    <xs:annotation>
      <xs:documentation>The URI for the resource.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type FileDescriptionType
Namespace http://nmrml.org/schema
Annotations
 
Information pertaining to the entire nmrML file (i.e. not specific to any
part of the data set) is stored here. The FileDescriptionType element is intended to contain
a summary description of the current nmrML file, for example it could say that the file has
a 1D FID, a processed spectra, and a peak picked spectra. It does not point to source files
or anything like that. It is intended to make it easy to determine what is inside a file
without having to look for different element types etc and build a summary yourself.
RawSpectrumFile would not be a good name. nmrMLInstanceSummary might be a more intuitive
name.
Diagram
Diagram schema.tmp#FileDescriptionType_fileContent
Used by
Model
Children fileContent
Source
 
<xs:complexType name="FileDescriptionType">
  <xs:annotation>
    <xs:documentation>Information pertaining to the entire nmrML file (i.e. not specific to any part of the data set) is stored here. The FileDescriptionType element is intended to contain a summary description of the current nmrML file, for example it could say that the file has a 1D FID, a processed spectra, and a peak picked spectra. It does not point to source files or anything like that. It is intended to make it easy to determine what is inside a file without having to look for different element types etc and build a summary yourself. RawSpectrumFile would not be a good name. nmrMLInstanceSummary might be a more intuitive name.</xs:documentation>
  </xs:annotation>
  <xs:sequence>
    <xs:element name="fileContent" type="ParamGroupType">
      <xs:annotation>
        <xs:documentation>This summarizes the different types of spectra that can be expected in the file. This is expected to aid processing software in skipping files that do not contain appropriate spectrum types for it. It should also describe the nativeID format used in the file by referring to an appropriate CV term.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ParamGroupType
Namespace http://nmrml.org/schema
Annotations
 
Structure allowing the use of a controlled (cvParam) or uncontrolled
vocabulary (userParam), or a reference to a predefined set of these in this nmrML file
(paramGroupRef).
Diagram
Diagram schema.tmp#ParamGroupType_referenceableParamGroupRef schema.tmp#ParamGroupType_cvParam schema.tmp#ParamGroupType_cvParamWithUnit schema.tmp#ParamGroupType_cvTerm schema.tmp#ParamGroupType_userParam
Used by
Model
Children cvParam, cvParamWithUnit, cvTerm, referenceableParamGroupRef, userParam
Source
 
<xs:complexType name="ParamGroupType">
  <xs:annotation>
    <xs:documentation>Structure allowing the use of a controlled (cvParam) or uncontrolled vocabulary (userParam), or a reference to a predefined set of these in this nmrML file (paramGroupRef).</xs:documentation>
  </xs:annotation>
  <xs:sequence minOccurs="0">
    <xs:element minOccurs="0" maxOccurs="unbounded" name="referenceableParamGroupRef" type="ReferenceableParamGroupRefType"/>
    <xs:element minOccurs="0" maxOccurs="unbounded" name="cvParam" type="CVParamType"/>
    <xs:element maxOccurs="unbounded" minOccurs="0" name="cvParamWithUnit" type="CVParamWithUnitType"/>
    <xs:element maxOccurs="unbounded" minOccurs="0" name="cvTerm" type="CVTermType"/>
    <xs:element minOccurs="0" maxOccurs="unbounded" name="userParam" type="UserParamType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ReferenceableParamGroupRefType
Namespace http://nmrml.org/schema
Annotations
 
A reference to a previously defined ParamGroup, which is a reusable
container of one or more cvParams.
Diagram
Diagram NO_NAMESPACE.tmp#ReferenceableParamGroupRefType_ref
Used by
Attributes
QName Type Use Annotation
ref xs:IDREF required 
Reference to the id attribute in a
referenceableParamGroup.
Source
 
<xs:complexType name="ReferenceableParamGroupRefType">
  <xs:annotation>
    <xs:documentation>A reference to a previously defined ParamGroup, which is a reusable container of one or more cvParams.</xs:documentation>
  </xs:annotation>
  <xs:attribute name="ref" type="xs:IDREF" use="required">
    <xs:annotation>
      <xs:documentation>Reference to the id attribute in a referenceableParamGroup.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type CVParamType
Namespace http://nmrml.org/schema
Annotations
 
This element holds additional data or annotation. In contrast to CVTermType,
here a pair of CV term plus a value (=Parameter) is captured. Only controlled values are
allowed here.
Diagram
Diagram NO_NAMESPACE.tmp#CVParamType_cvRef NO_NAMESPACE.tmp#CVParamType_accession NO_NAMESPACE.tmp#CVParamType_name NO_NAMESPACE.tmp#CVParamType_value
Used by
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
value xs:string optional 
The value for the parameter; may be absent if not appropriate, or a
numeric or symbolic value, or may itself be CV (legal values for a parameter should be
enumerated and defined in the ontology).
Source
 
<xs:complexType name="CVParamType">
  <xs:annotation>
    <xs:documentation>This element holds additional data or annotation. In contrast to CVTermType, here a pair of CV term plus a value (=Parameter) is captured. Only controlled values are allowed here.</xs:documentation>
  </xs:annotation>
  <xs:attribute name="cvRef" type="xs:IDREF" use="required">
    <xs:annotation>
      <xs:documentation>A reference to the CV 'id' attribute as defined in the cvList in this nmrML file.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="accession" type="xs:string" use="required">
    <xs:annotation>
      <xs:documentation>The accession number of the referred-to term in the named resource (e.g.: NMR:000012).</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="name" type="xs:string" use="required">
    <xs:annotation>
      <xs:documentation>The actual name for the parameter, from the referred-to controlled vocabulary. This should be the preferred name associated with the specified accession number.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="value" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>The value for the parameter; may be absent if not appropriate, or a numeric or symbolic value, or may itself be CV (legal values for a parameter should be enumerated and defined in the ontology).</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type CVParamWithUnitType
Namespace http://nmrml.org/schema
Annotations
 
This element holds additional data or annotation. Only controlled values are
allowed here.
Diagram
Diagram NO_NAMESPACE.tmp#CVParamWithUnitType_cvRef NO_NAMESPACE.tmp#CVParamWithUnitType_accession NO_NAMESPACE.tmp#CVParamWithUnitType_name NO_NAMESPACE.tmp#CVParamWithUnitType_value NO_NAMESPACE.tmp#CVParamWithUnitType_unitCvRef NO_NAMESPACE.tmp#CVParamWithUnitType_unitAccession NO_NAMESPACE.tmp#CVParamWithUnitType_unitName
Used by
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional 
The value for the parameter; may be absent if not appropriate, or a
numeric or symbolic value, or may itself be CV (legal values for a parameter should be
enumerated and defined in the ontology).
Source
 
<xs:complexType name="CVParamWithUnitType">
  <xs:annotation>
    <xs:documentation>This element holds additional data or annotation. Only controlled values are allowed here.</xs:documentation>
  </xs:annotation>
  <xs:attribute name="cvRef" type="xs:IDREF" use="required">
    <xs:annotation>
      <xs:documentation>A reference to the CV 'id' attribute as defined in the cvList in this nmrML file.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="accession" type="xs:string" use="required">
    <xs:annotation>
      <xs:documentation>The accession number of the referred-to term in the named resource (e.g.: NMR:000012).</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="name" type="xs:string" use="required">
    <xs:annotation>
      <xs:documentation>The actual name for the parameter, from the referred-to controlled vocabulary. This should be the preferred name associated with the specified accession number.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="value" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>The value for the parameter; may be absent if not appropriate, or a numeric or symbolic value, or may itself be CV (legal values for a parameter should be enumerated and defined in the ontology).</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="unitCvRef" type="xs:IDREF" use="optional">
    <xs:annotation>
      <xs:documentation>If a unit term is referenced, this attribute must refer to the CV 'id' attribute defined in the cvList in this nmrML file.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="unitAccession" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>An optional CV accession number for the unit term associated with the value, if any (e.g., 'UO:0000266' for 'electron volt').</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="unitName" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>An optional CV name for the unit accession number, if any (e.g., 'electron volt' for 'UO:0000266' ).</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type CVTermType
Namespace http://nmrml.org/schema
Annotations
 
This element holds additional data or annotation as a simple CV term with no
further values (Parameters) associated with it. Only controlled CV terms values are allowed
here.
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name
Used by
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
Source
 
<xs:complexType name="CVTermType">
  <xs:annotation>
    <xs:documentation>This element holds additional data or annotation as a simple CV term with no further values (Parameters) associated with it. Only controlled CV terms values are allowed here.</xs:documentation>
  </xs:annotation>
  <xs:attribute name="cvRef" type="xs:IDREF" use="required">
    <xs:annotation>
      <xs:documentation>A reference to the CV 'id' attribute as defined in the cvList in this nmrML file.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="accession" type="xs:string" use="required">
    <xs:annotation>
      <xs:documentation>The accession number of the referred-to term in the named resource (e.g.: NMR:000012).</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="name" type="xs:string" use="required">
    <xs:annotation>
      <xs:documentation>The actual name for the parameter, from the referred-to controlled vocabulary. This should be the preferred name associated with the specified accession number.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type UserParamType
Namespace http://nmrml.org/schema
Annotations
 
Uncontrolled user parameters (essentially allowing free text). Before using
these, one should verify whether there is an appropriate CV term available, and if so, use
the CV term instead
Diagram
Diagram NO_NAMESPACE.tmp#UserParamType_name NO_NAMESPACE.tmp#UserParamType_valueType NO_NAMESPACE.tmp#UserParamType_value NO_NAMESPACE.tmp#UserParamType_unitAccession NO_NAMESPACE.tmp#UserParamType_unitName NO_NAMESPACE.tmp#UserParamType_unitCvRef
Used by
Attributes
QName Type Use Annotation
name xs:string required 
The name for the parameter.
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional 
The value for the parameter, where appropriate.
valueType xs:string optional 
The datatype of the parameter, where appropriate (e.g.:
xsd:float).
Source
 
<xs:complexType name="UserParamType">
  <xs:annotation>
    <xs:documentation>Uncontrolled user parameters (essentially allowing free text). Before using these, one should verify whether there is an appropriate CV term available, and if so, use the CV term instead</xs:documentation>
  </xs:annotation>
  <xs:attribute name="name" type="xs:string" use="required">
    <xs:annotation>
      <xs:documentation>The name for the parameter.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="valueType" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>The datatype of the parameter, where appropriate (e.g.: xsd:float).</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="value" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>The value for the parameter, where appropriate.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="unitAccession" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>An optional CV accession number for the unit term associated with the value, if any (e.g., 'UO:0000266' for 'electron volt').</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="unitName" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>An optional CV name for the unit accession number, if any (e.g., 'electron volt' for 'UO:0000266' ).</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="unitCvRef" type="xs:IDREF" use="optional">
    <xs:annotation>
      <xs:documentation>If a unit term is referenced, this attribute must refer to the CV 'id' attribute defined in the cvList in this nmrML file.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ContactListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#ContactListType_contact
Used by
Model
Children contact
Source
 
<xs:complexType name="ContactListType">
  <xs:sequence minOccurs="1">
    <xs:element name="contact" type="dx:ContactType" maxOccurs="unbounded"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ContactType
Namespace http://nmrml.org/schema
Annotations
 
A person's name and information on how to communicate with
them.
Diagram
Diagram schema.tmp#ParamGroupType_referenceableParamGroupRef schema.tmp#ParamGroupType_cvParam schema.tmp#ParamGroupType_cvParamWithUnit schema.tmp#ParamGroupType_cvTerm schema.tmp#ParamGroupType_userParam schema.tmp#ParamGroupType NO_NAMESPACE.tmp#ContactType_id NO_NAMESPACE.tmp#ContactType_fullname NO_NAMESPACE.tmp#ContactType_url NO_NAMESPACE.tmp#ContactType_address NO_NAMESPACE.tmp#ContactType_organization NO_NAMESPACE.tmp#ContactType_email
Type extension of ParamGroupType
Type hierarchy
Used by
Model
Children cvParam, cvParamWithUnit, cvTerm, referenceableParamGroupRef, userParam
Attributes
QName Type Use Annotation
address xs:string optional 
Postal address of the contact person or
organization.
email xs:string required 
Email address of the contact person or
organization.
fullname xs:string required 
Name of the contact person.
id xs:ID required 
An identifier for this contact .
organization xs:string optional 
Home institution of the contact person.
url xs:anyURI optional 
Uniform Resource Locator related to the contact person or
organization.
Source
 
<xs:complexType name="ContactType">
  <xs:annotation>
    <xs:documentation>A person's name and information on how to communicate with them.</xs:documentation>
  </xs:annotation>
  <xs:complexContent>
    <xs:extension base="ParamGroupType">
      <xs:attribute name="id" type="xs:ID" use="required">
        <xs:annotation>
          <xs:documentation>An identifier for this contact .</xs:documentation>
        </xs:annotation>
      </xs:attribute>
      <xs:attribute name="fullname" type="xs:string" use="required">
        <xs:annotation>
          <xs:documentation>Name of the contact person.</xs:documentation>
        </xs:annotation>
      </xs:attribute>
      <xs:attribute name="url" type="xs:anyURI">
        <xs:annotation>
          <xs:documentation>Uniform Resource Locator related to the contact person or organization.</xs:documentation>
        </xs:annotation>
      </xs:attribute>
      <xs:attribute name="address" type="xs:string">
        <xs:annotation>
          <xs:documentation>Postal address of the contact person or organization.</xs:documentation>
        </xs:annotation>
      </xs:attribute>
      <xs:attribute name="organization" type="xs:string">
        <xs:annotation>
          <xs:documentation>Home institution of the contact person.</xs:documentation>
        </xs:annotation>
      </xs:attribute>
      <xs:attribute name="email" type="xs:string" use="required">
        <xs:annotation>
          <xs:documentation>Email address of the contact person or organization.</xs:documentation>
        </xs:annotation>
      </xs:attribute>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ReferenceableParamGroupListType
Namespace http://nmrml.org/schema
Annotations
 
Container for a list of referenceableParamGroups
Diagram
Diagram schema.tmp#ReferenceableParamGroupListType_referenceableParamGroup
Used by
Model
Children referenceableParamGroup
Source
 
<xs:complexType name="ReferenceableParamGroupListType">
  <xs:annotation>
    <xs:documentation>Container for a list of referenceableParamGroups</xs:documentation>
  </xs:annotation>
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="referenceableParamGroup" type="ReferenceableParamGroupType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ReferenceableParamGroupType
Namespace http://nmrml.org/schema
Annotations
 
A collection of CVParam and UserParam elements that can be referenced from
elsewhere in this nmrML document by using the 'paramGroupRef' element in that location to
reference the 'id' attribute value of this element.
Diagram
Diagram NO_NAMESPACE.tmp#ReferenceableParamGroupType_id schema.tmp#ReferenceableParamGroupType_cvParam schema.tmp#ReferenceableParamGroupType_userParam
Used by
Model
Children cvParam, userParam
Attributes
QName Type Use Annotation
id xs:ID required 
The identifier with which to reference this
ReferenceableParamGroup.
Source
 
<xs:complexType name="ReferenceableParamGroupType">
  <xs:annotation>
    <xs:documentation>A collection of CVParam and UserParam elements that can be referenced from elsewhere in this nmrML document by using the 'paramGroupRef' element in that location to reference the 'id' attribute value of this element.</xs:documentation>
  </xs:annotation>
  <xs:sequence>
    <xs:element minOccurs="0" maxOccurs="unbounded" name="cvParam" type="CVParamType"/>
    <xs:element minOccurs="0" maxOccurs="unbounded" name="userParam" type="UserParamType"/>
  </xs:sequence>
  <xs:attribute name="id" type="xs:ID" use="required">
    <xs:annotation>
      <xs:documentation>The identifier with which to reference this ReferenceableParamGroup.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SourceFileListType
Namespace http://nmrml.org/schema
Annotations
 
List and descriptions of the source files this nmrML document was generated
or derived from
Diagram
Diagram schema.tmp#SourceFileListType_sourceFile
Used by
Model
Children sourceFile
Source
 
<xs:complexType name="SourceFileListType">
  <xs:annotation>
    <xs:documentation>List and descriptions of the source files this nmrML document was generated or derived from</xs:documentation>
  </xs:annotation>
  <xs:sequence>
    <xs:element minOccurs="1" maxOccurs="unbounded" name="sourceFile" type="dx:SourceFileType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SourceFileType
Namespace http://nmrml.org/schema
Annotations
 
Description of the source file, including location and type. The
SourceFileType element is intended to be a generic element that points to a file that was
used to produce the spectrum or the nmrML file. It could point to an FID file, a procpar
file, a pulse program file etc. nmrExperimentSourceFile could be a good name but I
personally think that SourceFile is an intuitive name already.
Diagram
Diagram schema.tmp#ParamGroupType_referenceableParamGroupRef schema.tmp#ParamGroupType_cvParam schema.tmp#ParamGroupType_cvParamWithUnit schema.tmp#ParamGroupType_cvTerm schema.tmp#ParamGroupType_userParam schema.tmp#ParamGroupType NO_NAMESPACE.tmp#SourceFileType_id NO_NAMESPACE.tmp#SourceFileType_name NO_NAMESPACE.tmp#SourceFileType_location NO_NAMESPACE.tmp#SourceFileType_sha1
Type extension of ParamGroupType
Type hierarchy
Used by
Model
Children cvParam, cvParamWithUnit, cvTerm, referenceableParamGroupRef, userParam
Attributes
QName Type Use Annotation
id xs:ID required 
An identifier for this file.
location xs:anyURI required 
URI-formatted location where the file was
retrieved.
name xs:string required 
Name of the source file, without reference to location (either URI or
local path).
sha1 xs:string optional
Source
 
<xs:complexType name="SourceFileType">
  <xs:annotation>
    <xs:documentation>Description of the source file, including location and type. The SourceFileType element is intended to be a generic element that points to a file that was used to produce the spectrum or the nmrML file. It could point to an FID file, a procpar file, a pulse program file etc. nmrExperimentSourceFile could be a good name but I personally think that SourceFile is an intuitive name already.</xs:documentation>
  </xs:annotation>
  <xs:complexContent mixed="false">
    <xs:extension base="ParamGroupType">
      <xs:attribute name="id" type="xs:ID" use="required">
        <xs:annotation>
          <xs:documentation>An identifier for this file.</xs:documentation>
        </xs:annotation>
      </xs:attribute>
      <xs:attribute name="name" type="xs:string" use="required">
        <xs:annotation>
          <xs:documentation>Name of the source file, without reference to location (either URI or local path).</xs:documentation>
        </xs:annotation>
      </xs:attribute>
      <xs:attribute name="location" type="xs:anyURI" use="required">
        <xs:annotation>
          <xs:documentation>URI-formatted location where the file was retrieved.</xs:documentation>
        </xs:annotation>
      </xs:attribute>
      <xs:attribute name="sha1" type="xs:string"/>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SoftwareListType
Namespace http://nmrml.org/schema
Annotations
 
List and descriptions of software used to acquire and/or process the data in
this nmrML file.
Diagram
Diagram schema.tmp#SoftwareListType_software
Used by
Model
Children software
Source
 
<xs:complexType name="SoftwareListType">
  <xs:annotation>
    <xs:documentation>List and descriptions of software used to acquire and/or process the data in this nmrML file.</xs:documentation>
  </xs:annotation>
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="software" type="dx:SoftwareType">
      <xs:annotation>
        <xs:documentation>A software program used during the acquisition of the spectra or processing of the FID.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SoftwareType
Namespace http://nmrml.org/schema
Annotations
 
Software information.
Diagram
Diagram NO_NAMESPACE.tmp#CVTermType_cvRef NO_NAMESPACE.tmp#CVTermType_accession NO_NAMESPACE.tmp#CVTermType_name schema.tmp#CVTermType NO_NAMESPACE.tmp#SoftwareType_id NO_NAMESPACE.tmp#SoftwareType_version
Type extension of CVTermType
Type hierarchy
Used by
Attributes
QName Type Use Annotation
accession xs:string required 
The accession number of the referred-to term in the named resource (e.g.:
NMR:000012).
cvRef xs:IDREF required 
A reference to the CV 'id' attribute as defined in the cvList in this
nmrML file.
id xs:ID required 
An identifier for this software that is unique across all
SoftwareTypes.
name xs:string required 
The actual name for the parameter, from the referred-to controlled
vocabulary. This should be the preferred name associated with the specified accession
number.
version xs:string optional 
The software version.
Source
 
<xs:complexType name="SoftwareType">
  <xs:annotation>
    <xs:documentation>Software information.</xs:documentation>
  </xs:annotation>
  <xs:complexContent mixed="false">
    <xs:extension base="CVTermType">
      <xs:attribute name="id" type="xs:ID" use="required">
        <xs:annotation>
          <xs:documentation>An identifier for this software that is unique across all SoftwareTypes.</xs:documentation>
        </xs:annotation>
      </xs:attribute>
      <xs:attribute name="version" type="xs:string">
        <xs:annotation>
          <xs:documentation>The software version.</xs:documentation>
        </xs:annotation>
      </xs:attribute>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type InstrumentConfigurationListType
Namespace http://nmrml.org/schema
Annotations
 
List and descriptions of instrument configurations. At least one instrument
configuration must be specified, even if it is only to specify that the instrument is
unknown. In that case, the "instrument model" term is used to indicate the unknown
instrument in the instrumentConfiguration.
Diagram
Diagram schema.tmp#InstrumentConfigurationListType_instrumentConfiguration
Used by
Model
Children instrumentConfiguration
Source
 
<xs:complexType name="InstrumentConfigurationListType">
  <xs:annotation>
    <xs:documentation>List and descriptions of instrument configurations. At least one instrument configuration must be specified, even if it is only to specify that the instrument is unknown. In that case, the "instrument model" term is used to indicate the unknown instrument in the instrumentConfiguration.</xs:documentation>
  </xs:annotation>
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="instrumentConfiguration" type="dx:InstrumentConfigurationType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type InstrumentConfigurationType
Namespace http://nmrml.org/schema
Annotations
 
Description of a particular hardware configuration of a NMR spectrometer.
For software configuration, use a ReferenceableParamGroup element.
Diagram
Diagram schema.tmp#ParamGroupType_referenceableParamGroupRef schema.tmp#ParamGroupType_cvParam schema.tmp#ParamGroupType_cvParamWithUnit schema.tmp#ParamGroupType_cvTerm schema.tmp#ParamGroupType_userParam schema.tmp#ParamGroupType NO_NAMESPACE.tmp#InstrumentConfigurationType_id schema.tmp#InstrumentConfigurationType_softwareRef
Type extension of ParamGroupType
Type hierarchy
Used by
Model
Children cvParam, cvParamWithUnit, cvTerm, referenceableParamGroupRef, softwareRef, userParam
Attributes
QName Type Use Annotation
id xs:ID required 
An identifier for this instrument configuration.
Source
 
<xs:complexType name="InstrumentConfigurationType">
  <xs:annotation>
    <xs:documentation>Description of a particular hardware configuration of a NMR spectrometer. For software configuration, use a ReferenceableParamGroup element.</xs:documentation>
  </xs:annotation>
  <xs:complexContent mixed="false">
    <xs:extension base="ParamGroupType">
      <xs:sequence>
        <xs:element minOccurs="0" name="softwareRef" type="SoftwareRefType" maxOccurs="unbounded"/>
      </xs:sequence>
      <xs:attribute name="id" type="xs:ID" use="required">
        <xs:annotation>
          <xs:documentation>An identifier for this instrument configuration.</xs:documentation>
        </xs:annotation>
      </xs:attribute>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SoftwareRefType
Namespace http://nmrml.org/schema
Annotations
 
Reference to a previously defined software element
Diagram
Diagram NO_NAMESPACE.tmp#SoftwareRefType_ref
Used by
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must be used to reference the 'id' attribute of a software
element.
Source
 
<xs:complexType name="SoftwareRefType">
  <xs:annotation>
    <xs:documentation>Reference to a previously defined software element</xs:documentation>
  </xs:annotation>
  <xs:attribute name="ref" type="xs:IDREF" use="required">
    <xs:annotation>
      <xs:documentation>This attribute must be used to reference the 'id' attribute of a software element.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SampleListType
Namespace http://nmrml.org/schema
Annotations
 
List and descriptions of samples.
Diagram
Diagram schema.tmp#SampleListType_sample
Used by
Model
Children sample
Source
 
<xs:complexType name="SampleListType">
  <xs:annotation>
    <xs:documentation>List and descriptions of samples.</xs:documentation>
  </xs:annotation>
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="sample" type="dx:SampleType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SampleType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SampleType_originalBiologicalSampleReference schema.tmp#SampleType_originalBiologicalSamplepH schema.tmp#SampleType_postBufferpH schema.tmp#SampleType_buffer schema.tmp#SampleType_fieldFrequencyLock schema.tmp#SampleType_chemicalShiftStandard schema.tmp#SampleType_solventType schema.tmp#SampleType_additionalSoluteList schema.tmp#SampleType_concentrationStandard
Used by
Model
Children additionalSoluteList, buffer, chemicalShiftStandard, concentrationStandard, fieldFrequencyLock, originalBiologicalSamplepH, postBufferpH, solventType
Attributes
QName Type Use
originalBiologicalSampleReference xs:anyURI required
Source
 
<xs:complexType name="SampleType">
  <xs:sequence maxOccurs="1" minOccurs="1">
    <xs:element maxOccurs="1" minOccurs="0" name="originalBiologicalSamplepH" type="PhType">
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="0" name="postBufferpH" type="PhType">
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="0" name="buffer" type="CVTermType">
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="1" name="fieldFrequencyLock">
      <xs:complexType>
        <xs:attribute name="fieldFrequencyLockName" type="xs:string" use="required"/>
      </xs:complexType>
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="1" name="chemicalShiftStandard" type="CVParamType">
    </xs:element>
    <xs:element name="solventType" type="CVParamWithUnitType" maxOccurs="unbounded"/>
    <xs:element name="additionalSoluteList" type="AdditionalSoluteListType"/>
    <xs:element maxOccurs="1" minOccurs="0" name="concentrationStandard">
      <xs:complexType>
        <xs:sequence>
          <xs:element name="type" type="CVTermType"/>
          <xs:element name="concentrationInSample" type="ValueWithUnitType"/>
          <xs:element name="name" type="CVTermType"/>
        </xs:sequence>
      </xs:complexType>
    </xs:element>
  </xs:sequence>
  <xs:attribute name="originalBiologicalSampleReference" type="xs:anyURI" use="required"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Simple Type PhType
Namespace http://nmrml.org/schema
Diagram
Diagram
Type xs:double
Used by
Source
 
<xs:simpleType name="PhType">
  <xs:restriction base="xs:double"/>
</xs:simpleType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AdditionalSoluteListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#AdditionalSoluteListType_solute
Used by
Model
Children solute
Source
 
<xs:complexType name="AdditionalSoluteListType">
  <xs:sequence>
    <xs:element maxOccurs="unbounded" minOccurs="0" name="solute" type="SoluteType">
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SoluteType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SoluteType_name schema.tmp#SoluteType_concentrationInSample
Used by
Model
Children concentrationInSample
Attributes
QName Type Use
name xs:string required
Source
 
<xs:complexType name="SoluteType">
  <xs:sequence>
    <xs:element name="concentrationInSample" type="ValueWithUnitType"/>
  </xs:sequence>
  <xs:attribute name="name" type="xs:string" use="required"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ValueWithUnitType
Namespace http://nmrml.org/schema
Annotations
 
This element holds a value that also has a unit. Only controlled values are allowed for the unit.
Diagram
Diagram NO_NAMESPACE.tmp#ValueWithUnitType_value NO_NAMESPACE.tmp#ValueWithUnitType_unitAccession NO_NAMESPACE.tmp#ValueWithUnitType_unitName NO_NAMESPACE.tmp#ValueWithUnitType_unitCvRef
Used by
Attributes
QName Type Use Annotation
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
value xs:string optional
Source
 
<xs:complexType name="ValueWithUnitType">
  <xs:annotation>
    <xs:documentation>This element holds a value that also has a unit. Only controlled values are allowed for the unit.</xs:documentation>
  </xs:annotation>
  <xs:attribute name="value" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation/>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="unitAccession" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>An optional CV accession number for the unit term associated with the value, if any (e.g., 'UO:0000266' for 'electron volt').</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="unitName" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>An optional CV name for the unit accession number, if any (e.g., 'electron volt' for 'UO:0000266' ).</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="unitCvRef" type="xs:IDREF" use="optional">
    <xs:annotation>
      <xs:documentation>If a unit term is referenced, this attribute must refer to the CV 'id' attribute defined in the cvList in this nmrML file.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AcquisitionType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#AcquisitionType_acquisition1D schema.tmp#AcquisitionType_acquisitionMultiD
Used by
Model
Children acquisition1D, acquisitionMultiD
Source
 
<xs:complexType name="AcquisitionType">
  <xs:choice maxOccurs="1" minOccurs="1">
    <xs:element maxOccurs="1" minOccurs="1" name="acquisition1D" type="Acquisition1DType">
    </xs:element>
    <xs:element maxOccurs="1" name="acquisitionMultiD" type="AcquisitionMultiDType">
    </xs:element>
  </xs:choice>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type Acquisition1DType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#Acquisition1DType_id NO_NAMESPACE.tmp#Acquisition1DType_name schema.tmp#Acquisition1DType_acquisitionParameterSet schema.tmp#Acquisition1DType_fidData
Used by
Model
Children acquisitionParameterSet, fidData
Attributes
QName Type Use Annotation
id xs:ID optional 
An ID for the spectrum so that it can be referenced within the file for spectrum annotations.
name xs:string optional 
A (optional) name so that it can be differentiated other than by its rank if multiple spectra are embedded within the file
Source
 
<xs:complexType name="Acquisition1DType">
  <xs:sequence maxOccurs="1" minOccurs="1">
    <xs:element maxOccurs="1" minOccurs="1" name="acquisitionParameterSet" type="AcquisitionParameterSet1DType">
      <xs:annotation>
        <xs:documentation>Note, steady state scan is also know as dummy scan.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element name="fidData" type="BinaryDataArrayType">
      <xs:annotation>
        <xs:documentation>The FID is stored here as a binary blob. Byte ordering is always little endian (Intel style). Computers using a different endian style must convert to/from little endian when writing/reading nmrML. The FID should be converted into a Complex64 array before encoding. The base64 encoded binary data. The byte order is always 'little endian'.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
  <xs:attribute name="id" type="xs:ID" use="optional">
    <xs:annotation>
      <xs:documentation>An ID for the spectrum so that it can be referenced within the file for spectrum annotations.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="name" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>A (optional) name so that it can be differentiated other than by its rank if multiple spectra are embedded within the file</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AcquisitionParameterSet1DType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#AcquisitionParameterSetType_numberOfSteadyStateScans NO_NAMESPACE.tmp#AcquisitionParameterSetType_numberOfScans schema.tmp#AcquisitionParameterSetType_contactRefList schema.tmp#AcquisitionParameterSetType_softwareRef schema.tmp#AcquisitionParameterSetType_sampleContainer schema.tmp#AcquisitionParameterSetType_sampleAcquisitionTemperature schema.tmp#AcquisitionParameterSetType_solventSuppressionMethod schema.tmp#AcquisitionParameterSetType_spinningRate schema.tmp#AcquisitionParameterSetType_relaxationDelay schema.tmp#AcquisitionParameterSetType_pulseSequence schema.tmp#AcquisitionParameterSetType_shapedPulseFile schema.tmp#AcquisitionParameterSetType_groupDelay schema.tmp#AcquisitionParameterSetType_acquisitionParameterRefList schema.tmp#AcquisitionParameterSetType schema.tmp#AcquisitionParameterSet1DType_DirectDimensionParameterSet
Type extension of AcquisitionParameterSetType
Type hierarchy
Used by
Model
Children DirectDimensionParameterSet, acquisitionParameterRefList, contactRefList, groupDelay, pulseSequence, relaxationDelay, sampleAcquisitionTemperature, sampleContainer, shapedPulseFile, softwareRef, solventSuppressionMethod, spinningRate
Attributes
QName Type Use Annotation
numberOfScans xs:integer required 
The number of transients/scans.
numberOfSteadyStateScans xs:integer required 
Steady state scans taken in an NMR acquisition without collecting data. Also known as dummy scans. The pulse sequence is the same for a steady state scan, the only difference is that data is not collected. (More info here: http://u-of-o-nmr-facility.blogspot.ca/2010/04/dummy-scans.html )
Source
 
<xs:complexType name="AcquisitionParameterSet1DType">
  <xs:complexContent>
    <xs:extension base="AcquisitionParameterSetType">
      <xs:sequence>
        <xs:element name="DirectDimensionParameterSet" type="AcquisitionDimensionParameterSetType"/>
      </xs:sequence>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AcquisitionParameterSetType
Namespace http://nmrml.org/schema
Annotations
 
Base type for the list with the descriptions of the acquisition settings
applied prior to the start of data acquisition.
Diagram
Diagram NO_NAMESPACE.tmp#AcquisitionParameterSetType_numberOfSteadyStateScans NO_NAMESPACE.tmp#AcquisitionParameterSetType_numberOfScans schema.tmp#AcquisitionParameterSetType_contactRefList schema.tmp#AcquisitionParameterSetType_softwareRef schema.tmp#AcquisitionParameterSetType_sampleContainer schema.tmp#AcquisitionParameterSetType_sampleAcquisitionTemperature schema.tmp#AcquisitionParameterSetType_solventSuppressionMethod schema.tmp#AcquisitionParameterSetType_spinningRate schema.tmp#AcquisitionParameterSetType_relaxationDelay schema.tmp#AcquisitionParameterSetType_pulseSequence schema.tmp#AcquisitionParameterSetType_shapedPulseFile schema.tmp#AcquisitionParameterSetType_groupDelay schema.tmp#AcquisitionParameterSetType_acquisitionParameterRefList
Used by
Model
Children acquisitionParameterRefList, contactRefList, groupDelay, pulseSequence, relaxationDelay, sampleAcquisitionTemperature, sampleContainer, shapedPulseFile, softwareRef, solventSuppressionMethod, spinningRate
Attributes
QName Type Use Annotation
numberOfScans xs:integer required 
The number of transients/scans.
numberOfSteadyStateScans xs:integer required 
Steady state scans taken in an NMR acquisition without collecting data. Also known as dummy scans. The pulse sequence is the same for a steady state scan, the only difference is that data is not collected. (More info here: http://u-of-o-nmr-facility.blogspot.ca/2010/04/dummy-scans.html )
Source
 
<xs:complexType name="AcquisitionParameterSetType">
  <xs:annotation>
    <xs:documentation>Base type for the list with the descriptions of the acquisition settings applied prior to the start of data acquisition.</xs:documentation>
  </xs:annotation>
  <xs:sequence maxOccurs="1" minOccurs="1">
    <xs:element name="contactRefList" type="ContactRefListType" minOccurs="0"/>
    <xs:element minOccurs="0" name="softwareRef" type="SoftwareRefType"/>
    <xs:element maxOccurs="1" minOccurs="1" name="sampleContainer" type="CVTermType">
      <xs:annotation>
        <xs:documentation>The container used to introduc the sample into the autosampler. Example: tube, flow probe, rotor. Must reference a CV term.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="1" name="sampleAcquisitionTemperature" type="ValueWithUnitType">
      <xs:annotation>
        <xs:documentation>The temperature of the sample during the acquisition.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element minOccurs="0" name="solventSuppressionMethod" type="CVParamType">
      <xs:annotation>
        <xs:documentation>This tag captures the instrument inherent solvent (usually water) suppression method used during acquisition.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="1" name="spinningRate" type="ValueWithUnitType">
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="1" name="relaxationDelay" type="ValueWithUnitType">
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="1" name="pulseSequence" type="PulseSequenceType">
      <xs:annotation>
        <xs:documentation>A description of the pulse sequence using CV params/terms, and reference to the pulse sequence file if the source is available.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="0" name="shapedPulseFile" type="SourceFileRefType">
      <xs:annotation>
        <xs:documentation>A reference to the pulse shape file, from the power section of the Bruker acquisition software. Example: gauss</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="0" name="groupDelay" type="ValueWithUnitType">
      <xs:annotation>
        <xs:documentation>In the case of Bruker spectra a dead time or group delay can be observed in the FID: it starts with very small values and then, after some points (usually between 60-80 points) the normal FID starts. It can be a number with decimal value.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element minOccurs="0" name="acquisitionParameterRefList" type="AcquisitionParameterFileRefListType">
    </xs:element>
  </xs:sequence>
  <xs:attribute name="numberOfSteadyStateScans" type="xs:integer" use="required">
    <xs:annotation>
      <xs:documentation>Steady state scans taken in an NMR acquisition without collecting data. Also known as dummy scans. The pulse sequence is the same for a steady state scan, the only difference is that data is not collected. (More info here: http://u-of-o-nmr-facility.blogspot.ca/2010/04/dummy-scans.html )</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="numberOfScans" type="xs:integer" use="required">
    <xs:annotation>
      <xs:documentation>The number of transients/scans.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ContactRefListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#ContactRefListType_contactRef
Used by
Model
Children contactRef
Source
 
<xs:complexType name="ContactRefListType">
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="contactRef" type="ContactRefType">
      <xs:annotation>
        <xs:documentation>Reference to a previously defined sourceFile.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ContactRefType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ContactRefType_ref
Used by
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must reference the 'id' of the contact node in the
contactList.
Source
 
<xs:complexType name="ContactRefType">
  <xs:attribute name="ref" type="xs:IDREF" use="required">
    <xs:annotation>
      <xs:documentation>This attribute must reference the 'id' of the contact node in the contactList.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type PulseSequenceType
Namespace http://nmrml.org/schema
Annotations
 
A list of references to the source files that define the pulse sequence,
including pulse shape files, pulse sequence source code, pulse sequence parameter files,
etc.
Diagram
Diagram schema.tmp#ParamGroupType_referenceableParamGroupRef schema.tmp#ParamGroupType_cvParam schema.tmp#ParamGroupType_cvParamWithUnit schema.tmp#ParamGroupType_cvTerm schema.tmp#ParamGroupType_userParam schema.tmp#ParamGroupType
Type extension of ParamGroupType
Type hierarchy
Properties
mixed false
Used by
Model
Children cvParam, cvParamWithUnit, cvTerm, referenceableParamGroupRef, userParam
Source
 
<xs:complexType mixed="false" name="PulseSequenceType">
  <xs:annotation>
    <xs:documentation>A list of references to the source files that define the pulse sequence, including pulse shape files, pulse sequence source code, pulse sequence parameter files, etc.</xs:documentation>
  </xs:annotation>
  <xs:complexContent>
    <xs:extension base="ParamGroupType">
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SourceFileRefType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SourceFileRefType_ref
Used by
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must reference the 'id' of the appropriate
sourceFile.
Source
 
<xs:complexType name="SourceFileRefType">
  <xs:attribute name="ref" type="xs:IDREF" use="required">
    <xs:annotation>
      <xs:documentation>This attribute must reference the 'id' of the appropriate sourceFile.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AcquisitionParameterFileRefListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#AcquisitionParameterFileRefListType_acquisitionParameterFileRef
Used by
Model
Children acquisitionParameterFileRef
Source
 
<xs:complexType name="AcquisitionParameterFileRefListType">
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="acquisitionParameterFileRef" type="AcquisitionParameterFileRefType">
      <xs:annotation>
        <xs:documentation>Reference to a previously defined sourceFile.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AcquisitionParameterFileRefType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#AcquisitionParameterFileRefType_ref
Used by
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must reference the 'id' of the sourceFile node in the sourceFileList
Source
 
<xs:complexType name="AcquisitionParameterFileRefType">
  <xs:attribute name="ref" type="xs:IDREF" use="required">
    <xs:annotation>
      <xs:documentation>This attribute must reference the 'id' of the sourceFile node in the sourceFileList</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AcquisitionDimensionParameterSetType
Namespace http://nmrml.org/schema
Annotations
 
Descriptions of the acquisition parameters set prior to the start of data
acquisition specific to each NMR analysis dimension.
Diagram
Diagram NO_NAMESPACE.tmp#AcquisitionDimensionParameterSetType_decoupled NO_NAMESPACE.tmp#AcquisitionDimensionParameterSetType_numberOfDataPoints schema.tmp#AcquisitionDimensionParameterSetType_decouplingMethod schema.tmp#AcquisitionDimensionParameterSetType_acquisitionNucleus schema.tmp#AcquisitionDimensionParameterSetType_effectiveExcitationField schema.tmp#AcquisitionDimensionParameterSetType_sweepWidth schema.tmp#AcquisitionDimensionParameterSetType_pulseWidth schema.tmp#AcquisitionDimensionParameterSetType_irradiationFrequency schema.tmp#AcquisitionDimensionParameterSetType_irradiationFrequencyOffset schema.tmp#AcquisitionDimensionParameterSetType_decouplingNucleus schema.tmp#AcquisitionDimensionParameterSetType_samplingStrategy schema.tmp#AcquisitionDimensionParameterSetType_samplingTimePoints
Used by
Model
Children acquisitionNucleus, decouplingMethod, decouplingNucleus, effectiveExcitationField, irradiationFrequency, irradiationFrequencyOffset, pulseWidth, samplingStrategy, samplingTimePoints, sweepWidth
Attributes
QName Type Use
decoupled xs:boolean required
numberOfDataPoints xs:integer required
Source
 
<xs:complexType name="AcquisitionDimensionParameterSetType">
  <xs:annotation>
    <xs:documentation>Descriptions of the acquisition parameters set prior to the start of data acquisition specific to each NMR analysis dimension.</xs:documentation>
  </xs:annotation>
  <xs:sequence>
    <xs:element minOccurs="0" name="decouplingMethod" type="CVTermType"/>
    <xs:element name="acquisitionNucleus" type="CVTermType"/>
    <xs:element maxOccurs="1" minOccurs="1" name="effectiveExcitationField" type="ValueWithUnitType">
      <xs:annotation>
        <xs:documentation>replacing the hardPulse parameter, would be automatically calculated from the pulse width in the procs file. If you say the pulse width you also have to specify the excitation angle so this way is more compact/useful. Should be recorded in Tesla</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="1" name="sweepWidth" type="ValueWithUnitType">
      <xs:annotation>
        <xs:documentation>Should be in ppm and Hz.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element name="pulseWidth" type="ValueWithUnitType">
      <xs:annotation>
        <xs:documentation>90° pulse width, measured in µs</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="1" name="irradiationFrequency" type="ValueWithUnitType">
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="1" name="irradiationFrequencyOffset" type="ValueWithUnitType">
    </xs:element>
    <xs:element name="decouplingNucleus" type="CVTermType" minOccurs="0"/>
    <xs:element name="samplingStrategy" type="CVTermType"/>
    <xs:element name="samplingTimePoints" type="BinaryDataArrayType" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The time domain for the samples. Allows for capturing off grid points and non-uniform sampling.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
  <xs:attribute name="decoupled" type="xs:boolean" use="required"/>
  <xs:attribute name="numberOfDataPoints" type="xs:integer" use="required"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type BinaryDataArrayType
Namespace http://nmrml.org/schema
Annotations
Diagram
Diagram NO_NAMESPACE.tmp#BinaryDataArrayType_compressed NO_NAMESPACE.tmp#BinaryDataArrayType_encodedLength NO_NAMESPACE.tmp#BinaryDataArrayType_byteFormat
Type extension of xs:base64Binary
Used by
Attributes
QName Type Use Annotation
byteFormat xs:string required 
TODO format as little endian 64 bit pairs of floats, or 32 bit pairs of floats. See online documentation for decoding examples.
compressed xs:boolean required 
True if the binary data was compressed with zlib before encoding as
base64
encodedLength xs:nonNegativeInteger required 
The number of characters in the base64 string. This is useful for skipping over the string in high throughput applications.
Source
 
<xs:complexType name="BinaryDataArrayType">
  <xs:annotation>
    <xs:documentation/>
  </xs:annotation>
  <xs:simpleContent>
    <xs:extension base="xs:base64Binary">
      <xs:attribute name="compressed" type="xs:boolean" use="required">
        <xs:annotation>
          <xs:documentation>True if the binary data was compressed with zlib before encoding as base64</xs:documentation>
        </xs:annotation>
      </xs:attribute>
      <xs:attribute name="encodedLength" type="xs:nonNegativeInteger" use="required">
        <xs:annotation>
          <xs:documentation>The number of characters in the base64 string. This is useful for skipping over the string in high throughput applications.</xs:documentation>
        </xs:annotation>
      </xs:attribute>
      <xs:attribute name="byteFormat" type="xs:string" use="required">
        <xs:annotation>
          <xs:documentation>TODO format as little endian 64 bit pairs of floats, or 32 bit pairs of floats. See online documentation for decoding examples.</xs:documentation>
        </xs:annotation>
      </xs:attribute>
    </xs:extension>
  </xs:simpleContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AcquisitionMultiDType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#AcquisitionMultiDType_acquisitionParameterSet schema.tmp#AcquisitionMultiDType_fidData
Used by
Model
Children acquisitionParameterSet, fidData
Source
 
<xs:complexType name="AcquisitionMultiDType">
  <xs:sequence maxOccurs="1" minOccurs="1">
    <xs:element maxOccurs="1" minOccurs="1" name="acquisitionParameterSet" type="AcquisitionParameterSetMultiDType">
    </xs:element>
    <xs:element name="fidData" type="BinaryDataArrayType">
      <xs:annotation>
        <xs:documentation>The FID is stored here as a binary blob. Byte ordering is always little endian (Intel style). Computers using a different endian style must convert to/from little endian when writing/reading nmrML. The FID should be converted into a Complex64 array before encoding. The base64 encoded binary data. The byte order is always 'little endian'.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AcquisitionParameterSetMultiDType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#AcquisitionParameterSetType_numberOfSteadyStateScans NO_NAMESPACE.tmp#AcquisitionParameterSetType_numberOfScans schema.tmp#AcquisitionParameterSetType_contactRefList schema.tmp#AcquisitionParameterSetType_softwareRef schema.tmp#AcquisitionParameterSetType_sampleContainer schema.tmp#AcquisitionParameterSetType_sampleAcquisitionTemperature schema.tmp#AcquisitionParameterSetType_solventSuppressionMethod schema.tmp#AcquisitionParameterSetType_spinningRate schema.tmp#AcquisitionParameterSetType_relaxationDelay schema.tmp#AcquisitionParameterSetType_pulseSequence schema.tmp#AcquisitionParameterSetType_shapedPulseFile schema.tmp#AcquisitionParameterSetType_groupDelay schema.tmp#AcquisitionParameterSetType_acquisitionParameterRefList schema.tmp#AcquisitionParameterSetType schema.tmp#AcquisitionParameterSetMultiDType_hadamardParameterSet schema.tmp#AcquisitionParameterSetMultiDType_directDimensionParameterSet schema.tmp#AcquisitionParameterSetMultiDType_encodingScheme schema.tmp#AcquisitionParameterSetMultiDType_indirectDimensionParameterSet
Type extension of AcquisitionParameterSetType
Type hierarchy
Used by
Model
Children acquisitionParameterRefList, contactRefList, directDimensionParameterSet, encodingScheme, groupDelay, hadamardParameterSet, indirectDimensionParameterSet, pulseSequence, relaxationDelay, sampleAcquisitionTemperature, sampleContainer, shapedPulseFile, softwareRef, solventSuppressionMethod, spinningRate
Attributes
QName Type Use Annotation
numberOfScans xs:integer required 
The number of transients/scans.
numberOfSteadyStateScans xs:integer required 
Steady state scans taken in an NMR acquisition without collecting data. Also known as dummy scans. The pulse sequence is the same for a steady state scan, the only difference is that data is not collected. (More info here: http://u-of-o-nmr-facility.blogspot.ca/2010/04/dummy-scans.html )
Source
 
<xs:complexType name="AcquisitionParameterSetMultiDType">
  <xs:complexContent>
    <xs:extension base="AcquisitionParameterSetType">
      <xs:sequence>
        <xs:element minOccurs="0" name="hadamardParameterSet">
          <xs:annotation>
            <xs:documentation>TODO needs to be a list of frequencies, but could allow for other parameters.</xs:documentation>
          </xs:annotation>
          <xs:complexType>
            <xs:sequence>
              <xs:element maxOccurs="unbounded" minOccurs="0" name="hadamardFrequency" type="ValueWithUnitType">
                <xs:annotation>
                  <xs:documentation>Required if and only if the encoding type is Hadamard.</xs:documentation>
                </xs:annotation>
              </xs:element>
            </xs:sequence>
          </xs:complexType>
        </xs:element>
        <xs:element name="directDimensionParameterSet" type="AcquisitionDimensionParameterSetType"/>
        <xs:element minOccurs="1" name="encodingScheme" type="CVParamType">
          <xs:annotation>
            <xs:documentation>Quadrature detection method.</xs:documentation>
          </xs:annotation>
        </xs:element>
        <xs:element maxOccurs="unbounded" minOccurs="1" name="indirectDimensionParameterSet" type="AcquisitionDimensionParameterSetType">
          <xs:annotation>
            <xs:documentation>Required once for each indirect dimension that is measured.</xs:documentation>
          </xs:annotation>
        </xs:element>
      </xs:sequence>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SpectrumListType
Namespace http://nmrml.org/schema
Annotations
 
List and descriptions of spectra.
Diagram
Diagram schema.tmp#SpectrumListType_spectrum1D schema.tmp#SpectrumListType_spectrumMultiD
Used by
Model
Children spectrum1D, spectrumMultiD
Source
 
<xs:complexType name="SpectrumListType">
  <xs:annotation>
    <xs:documentation>List and descriptions of spectra.</xs:documentation>
  </xs:annotation>
  <xs:choice>
    <xs:element minOccurs="0" maxOccurs="unbounded" name="spectrum1D" type="Spectrum1DType"/>
    <xs:element name="spectrumMultiD" type="SpectrumMultiDType" maxOccurs="unbounded" minOccurs="0"/>
  </xs:choice>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type Spectrum1DType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SpectrumType_numberOfDataPoints NO_NAMESPACE.tmp#SpectrumType_id NO_NAMESPACE.tmp#SpectrumType_name schema.tmp#SpectrumType_processingSoftwareRefList schema.tmp#SpectrumType_processingParameterFileRefList schema.tmp#SpectrumType_spectrumDataArray schema.tmp#SpectrumType_xAxis schema.tmp#SpectrumType_processingParameterSet schema.tmp#SpectrumType schema.tmp#Spectrum1DType_firstDimensionProcessingParameterSet
Type extension of SpectrumType
Type hierarchy
Used by
Model
Children firstDimensionProcessingParameterSet, processingParameterFileRefList, processingParameterSet, processingSoftwareRefList, spectrumDataArray, xAxis
Attributes
QName Type Use Annotation
id xs:ID required 
An ID for the spectrum so that it can be referenced within the file for spectrum annotations.
name xs:string optional 
A (optional) name so that it can be differentiated other than by its rank if multiple spectra are embedded within the file
numberOfDataPoints xs:integer required 
The number of (x,y) points in the spectrum. This is needed to read the binary data.
Source
 
<xs:complexType name="Spectrum1DType">
  <xs:complexContent>
    <xs:extension base="SpectrumType">
      <xs:sequence>
        <xs:element name="firstDimensionProcessingParameterSet" type="FirstDimensionProcessingParameterSetType" minOccurs="0">
          <xs:annotation>
            <xs:documentation>Optional additional information about processing that was used to create the frequency domain spectrum. This information is relevant to the first dimension of data only.</xs:documentation>
          </xs:annotation>
        </xs:element>
      </xs:sequence>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SpectrumType
Namespace http://nmrml.org/schema
Annotations
 
A spectrum that is the result of processing the acquisition and a
description of the process used to create it.
Diagram
Diagram NO_NAMESPACE.tmp#SpectrumType_numberOfDataPoints NO_NAMESPACE.tmp#SpectrumType_id NO_NAMESPACE.tmp#SpectrumType_name schema.tmp#SpectrumType_processingSoftwareRefList schema.tmp#SpectrumType_processingParameterFileRefList schema.tmp#SpectrumType_spectrumDataArray schema.tmp#SpectrumType_xAxis schema.tmp#SpectrumType_processingParameterSet
Used by
Model
Children processingParameterFileRefList, processingParameterSet, processingSoftwareRefList, spectrumDataArray, xAxis
Attributes
QName Type Use Annotation
id xs:ID required 
An ID for the spectrum so that it can be referenced within the file for spectrum annotations.
name xs:string optional 
A (optional) name so that it can be differentiated other than by its rank if multiple spectra are embedded within the file
numberOfDataPoints xs:integer required 
The number of (x,y) points in the spectrum. This is needed to read the binary data.
Source
 
<xs:complexType name="SpectrumType">
  <xs:annotation>
    <xs:documentation>A spectrum that is the result of processing the acquisition and a description of the process used to create it.</xs:documentation>
  </xs:annotation>
  <xs:sequence maxOccurs="1" minOccurs="1">
    <xs:element minOccurs="0" name="processingSoftwareRefList" type="SoftwareRefListType">
    </xs:element>
    <xs:element minOccurs="0" name="processingParameterFileRefList" type="ProcessingParameterFileRefListType">
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="1" name="spectrumDataArray" type="BinaryDataArrayType">
      <xs:annotation>
        <xs:documentation>The 1D spectrum is represented as either a set of y-axis values at equal x-axis intervals or a set of (x,y) pairs.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- Set back the section xAxis ( AxisWithUnitType ) that had been previously removed. We need it to rebuild the ppm scale -->
    <xs:element name="xAxis" type="AxisWithUnitType"/>
    <xs:element name="processingParameterSet" minOccurs="0">
      <xs:annotation>
        <xs:documentation>Optional information about processing that was used to create the frequency domain spectrum.</xs:documentation>
      </xs:annotation>
      <xs:complexType>
        <xs:sequence>
          <xs:element name="postAcquisitionSolventSuppressionMethod" type="CVTermType" minOccurs="0">
            <xs:annotation>
              <xs:documentation>The method used for post acquisition solvent suppression.</xs:documentation>
            </xs:annotation>
          </xs:element>
          <xs:element name="calibrationCompound" type="CVTermType" minOccurs="0"/>
          <xs:element name="dataTransformationMethod" type="CVTermType" minOccurs="0">
            <xs:annotation>
              <xs:documentation>The method used for time-based to frequency-based data transformation.</xs:documentation>
            </xs:annotation>
          </xs:element>
        </xs:sequence>
      </xs:complexType>
    </xs:element>
  </xs:sequence>
  <xs:attribute name="numberOfDataPoints" type="xs:integer" use="required">
    <xs:annotation>
      <xs:documentation>The number of (x,y) points in the spectrum. This is needed to read the binary data.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="id" type="xs:ID" use="required">
    <xs:annotation>
      <xs:documentation>An ID for the spectrum so that it can be referenced within the file for spectrum annotations.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="name" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>A (optional) name so that it can be differentiated other than by its rank if multiple spectra are embedded within the file</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SoftwareRefListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#SoftwareRefListType_softwareRef
Used by
Model
Children softwareRef
Source
 
<xs:complexType name="SoftwareRefListType">
  <xs:sequence>
    <xs:element minOccurs="0" maxOccurs="unbounded" name="softwareRef" type="SoftwareRefType">
      <xs:annotation>
        <xs:documentation>Reference to a previously defined sourceFile.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ProcessingParameterFileRefListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#ProcessingParameterFileRefListType_processingParameterFileRef
Used by
Model
Children processingParameterFileRef
Source
 
<xs:complexType name="ProcessingParameterFileRefListType">
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="processingParameterFileRef" type="ProcessingParameterFileRefType">
      <xs:annotation>
        <xs:documentation>Reference to a previously defined sourceFile.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ProcessingParameterFileRefType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ProcessingParameterFileRefType_ref
Used by
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must reference the 'id' of the sourceFile node in the sourceFileList.
Source
 
<xs:complexType name="ProcessingParameterFileRefType">
  <xs:attribute name="ref" type="xs:IDREF" use="required">
    <xs:annotation>
      <xs:documentation>This attribute must reference the 'id' of the sourceFile node in the sourceFileList.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AxisWithUnitType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#AxisWithUnitType_unitAccession NO_NAMESPACE.tmp#AxisWithUnitType_unitName NO_NAMESPACE.tmp#AxisWithUnitType_unitCvRef NO_NAMESPACE.tmp#AxisWithUnitType_startValue NO_NAMESPACE.tmp#AxisWithUnitType_endValue
Used by
Attributes
QName Type Use Annotation
endValue optional
startValue optional
unitAccession xs:string optional 
An optional CV accession number for the unit term associated with the
value, if any (e.g., 'UO:0000266' for 'electron volt').
unitCvRef xs:IDREF optional 
If a unit term is referenced, this attribute must refer to the CV 'id'
attribute defined in the cvList in this nmrML file.
unitName xs:string optional 
An optional CV name for the unit accession number, if any (e.g., 'electron
volt' for 'UO:0000266' ).
Source
 
<xs:complexType name="AxisWithUnitType">
  <xs:attribute name="unitAccession" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>An optional CV accession number for the unit term associated with the value, if any (e.g., 'UO:0000266' for 'electron volt').</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="unitName" type="xs:string" use="optional">
    <xs:annotation>
      <xs:documentation>An optional CV name for the unit accession number, if any (e.g., 'electron volt' for 'UO:0000266' ).</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="unitCvRef" type="xs:IDREF" use="optional">
    <xs:annotation>
      <xs:documentation>If a unit term is referenced, this attribute must refer to the CV 'id' attribute defined in the cvList in this nmrML file.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="startValue"/>
  <xs:attribute name="endValue"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type FirstDimensionProcessingParameterSetType
Namespace http://nmrml.org/schema
Annotations
 
Parameters recorded when raw data set is processed to create a spectra that
are specific to a dimension.
Diagram
Diagram schema.tmp#FirstDimensionProcessingParameterSetType_zeroOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_firstOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_calibrationReferenceShift schema.tmp#FirstDimensionProcessingParameterSetType_spectralDenoisingMethod schema.tmp#FirstDimensionProcessingParameterSetType_windowFunction schema.tmp#FirstDimensionProcessingParameterSetType_baselineCorrectionMethod
Used by
Model
Children baselineCorrectionMethod, calibrationReferenceShift, firstOrderPhaseCorrection, spectralDenoisingMethod, windowFunction, zeroOrderPhaseCorrection
Source
 
<xs:complexType name="FirstDimensionProcessingParameterSetType">
  <xs:annotation>
    <xs:documentation>Parameters recorded when raw data set is processed to create a spectra that are specific to a dimension.</xs:documentation>
  </xs:annotation>
  <xs:sequence maxOccurs="1" minOccurs="1">
    <xs:element maxOccurs="1" minOccurs="0" name="zeroOrderPhaseCorrection" type="ValueWithUnitType">
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="0" name="firstOrderPhaseCorrection" type="ValueWithUnitType">
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="0" name="calibrationReferenceShift" type="ValueWithUnitType">
    </xs:element>
    <xs:element name="spectralDenoisingMethod" type="CVTermType" minOccurs="0"/>
    <xs:element maxOccurs="unbounded" minOccurs="0" name="windowFunction">
      <xs:complexType>
        <xs:sequence maxOccurs="1" minOccurs="1">
          <xs:element name="windowFunctionMethod" type="CVTermType"/>
          <xs:element maxOccurs="unbounded" minOccurs="1" name="windowFunctionParameter" type="CVParamType">
            <xs:annotation>
              <xs:documentation>The parameters used in the window function method.</xs:documentation>
            </xs:annotation>
          </xs:element>
        </xs:sequence>
      </xs:complexType>
    </xs:element>
    <xs:element name="baselineCorrectionMethod" type="CVTermType" minOccurs="0"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SpectrumMultiDType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SpectrumType_numberOfDataPoints NO_NAMESPACE.tmp#SpectrumType_id NO_NAMESPACE.tmp#SpectrumType_name schema.tmp#SpectrumType_processingSoftwareRefList schema.tmp#SpectrumType_processingParameterFileRefList schema.tmp#SpectrumType_spectrumDataArray schema.tmp#SpectrumType_xAxis schema.tmp#SpectrumType_processingParameterSet schema.tmp#SpectrumType schema.tmp#SpectrumMultiDType_firstDimensionProcessingParameterSet schema.tmp#SpectrumMultiDType_higherDimensionProcessingParameterSet schema.tmp#SpectrumMultiDType_projected3DProcessingParamaterSet
Type extension of SpectrumType
Type hierarchy
Used by
Model
Children firstDimensionProcessingParameterSet, higherDimensionProcessingParameterSet, processingParameterFileRefList, processingParameterSet, processingSoftwareRefList, projected3DProcessingParamaterSet, spectrumDataArray, xAxis
Attributes
QName Type Use Annotation
id xs:ID required 
An ID for the spectrum so that it can be referenced within the file for spectrum annotations.
name xs:string optional 
A (optional) name so that it can be differentiated other than by its rank if multiple spectra are embedded within the file
numberOfDataPoints xs:integer required 
The number of (x,y) points in the spectrum. This is needed to read the binary data.
Source
 
<xs:complexType name="SpectrumMultiDType">
  <xs:complexContent>
    <xs:extension base="SpectrumType">
      <xs:sequence>
        <xs:element name="firstDimensionProcessingParameterSet" type="FirstDimensionProcessingParameterSetType"/>
        <xs:element maxOccurs="2" name="higherDimensionProcessingParameterSet" type="HigherDimensionProcessingParameterSetType"/>
        <xs:element maxOccurs="1" minOccurs="0" name="projected3DProcessingParamaterSet" type="Projected3DProcessingParamaterSetType"/>
      </xs:sequence>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type HigherDimensionProcessingParameterSetType
Namespace http://nmrml.org/schema
Annotations
 
Parameters recorded when raw data set is processed to create a spectra that
are specific to the second dimension.
Diagram
Diagram schema.tmp#FirstDimensionProcessingParameterSetType_zeroOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_firstOrderPhaseCorrection schema.tmp#FirstDimensionProcessingParameterSetType_calibrationReferenceShift schema.tmp#FirstDimensionProcessingParameterSetType_spectralDenoisingMethod schema.tmp#FirstDimensionProcessingParameterSetType_windowFunction schema.tmp#FirstDimensionProcessingParameterSetType_baselineCorrectionMethod schema.tmp#FirstDimensionProcessingParameterSetType
Type extension of FirstDimensionProcessingParameterSetType
Type hierarchy
Used by
Model
Children baselineCorrectionMethod, calibrationReferenceShift, firstOrderPhaseCorrection, spectralDenoisingMethod, windowFunction, zeroOrderPhaseCorrection
Source
 
<xs:complexType name="HigherDimensionProcessingParameterSetType">
  <xs:annotation>
    <xs:documentation>Parameters recorded when raw data set is processed to create a spectra that are specific to the second dimension.</xs:documentation>
  </xs:annotation>
  <xs:complexContent>
    <xs:extension base="FirstDimensionProcessingParameterSetType">
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type Projected3DProcessingParamaterSetType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#Projected3DProcessingParamaterSetType_projectionAngle NO_NAMESPACE.tmp#Projected3DProcessingParamaterSetType_positiveProjectionMethod
Used by
Attributes
QName Type Use
positiveProjectionMethod xs:boolean optional
projectionAngle xs:double optional
Source
 
<xs:complexType name="Projected3DProcessingParamaterSetType">
  <xs:attribute name="projectionAngle" type="xs:double"/>
  <xs:attribute name="positiveProjectionMethod" type="xs:boolean"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SpectrumAnnotationListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#SpectrumAnnotationListType_atomAssignment schema.tmp#SpectrumAnnotationListType_quantification
Used by
Model
Children atomAssignment, quantification
Source
 
<xs:complexType name="SpectrumAnnotationListType">
  <xs:sequence>
    <xs:element name="atomAssignment" minOccurs="0" type="AtomAssingmentAnnotationType">
      <xs:annotation>
        <xs:documentation>An annotation for assigning atoms in a chemical structure to peaks in a spectrum.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element minOccurs="0" name="quantification" type="QuantificationAnnotationType">
      <xs:annotation>
        <xs:documentation>An annotation for capturing the quantification of a complex mixture in an NMR experiment. The annotation captures the alighnment of clusters of peaks to the spectrum, the associated chemical compounds, and the quantification information.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AtomAssingmentAnnotationType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#AtomAssingmentAnnotationType_spectrumRef schema.tmp#AtomAssingmentAnnotationType_chemicalCompound schema.tmp#AtomAssingmentAnnotationType_atomAssignmentList
Used by
Model
Children atomAssignmentList, chemicalCompound
Attributes
QName Type Use Annotation
spectrumRef xs:IDREF required 
A reference to the id of the spectrum that this annotation is for.
Source
 
<xs:complexType name="AtomAssingmentAnnotationType">
  <xs:sequence>
    <xs:element name="chemicalCompound" type="ChemicalCompoundType"/>
    <xs:element name="atomAssignmentList" type="AtomAssignmentListType" minOccurs="0">
      <xs:annotation>
        <xs:documentation>A list of annotated peak clusters in the spectrum and the atoms that they correspond to.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
  <xs:attribute name="spectrumRef" type="xs:IDREF" use="required">
    <xs:annotation>
      <xs:documentation>A reference to the id of the spectrum that this annotation is for.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ChemicalCompoundType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ChemicalCompoundType_name schema.tmp#ChemicalCompoundType_identifierList schema.tmp#ChemicalCompoundType_structure
Used by
Model
Children identifierList, structure
Attributes
QName Type Use
name optional
Source
 
<xs:complexType name="ChemicalCompoundType">
  <xs:sequence minOccurs="1">
    <xs:element name="identifierList" type="CompoundIdentifierListType" minOccurs="0">
    </xs:element>
    <xs:element name="structure" type="CompoundStructureType" minOccurs="0">
    </xs:element>
  </xs:sequence>
  <xs:attribute name="name"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type CompoundIdentifierListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#CompoundIdentifierListType_identifier schema.tmp#CompoundIdentifierListType_databaseIdentifier
Used by
Model
Children databaseIdentifier, identifier
Source
 
<xs:complexType name="CompoundIdentifierListType">
  <xs:sequence>
    <xs:element maxOccurs="unbounded" minOccurs="0" name="identifier" type="CVTermType">
      <xs:annotation>
        <xs:documentation>Captures compound identifiers coming from an ontology. Usually CHEBI. Example:
          <compoundIdentifier accession="CHEBI:16449" cvRef="CHEBI"/>
        </xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element maxOccurs="unbounded" minOccurs="0" name="databaseIdentifier" type="CompoundDatabaseIdentifierType">
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type CompoundDatabaseIdentifierType
Namespace http://nmrml.org/schema
Annotations
 
Captures a database identifier and reference via URI.

Example:<compoundDatabaseIdentifier databaseID="HMDB00067" databaseURI="http://hmdb.ca/metabolites/HMDB00067"/>
Diagram
Diagram NO_NAMESPACE.tmp#CompoundDatabaseIdentifierType_identifier NO_NAMESPACE.tmp#CompoundDatabaseIdentifierType_URI
Used by
Attributes
QName Type Use
URI required
identifier required
Source
 
<xs:complexType name="CompoundDatabaseIdentifierType">
  <xs:annotation>
    <xs:documentation>Captures a database identifier and reference via URI. Example:
      <compoundDatabaseIdentifier databaseID="HMDB00067" databaseURI="http://hmdb.ca/metabolites/HMDB00067"/>
    </xs:documentation>
  </xs:annotation>
  <xs:attribute name="identifier" use="required"/>
  <xs:attribute name="URI" use="required"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type CompoundStructureType
Namespace http://nmrml.org/schema
Annotations
Diagram
Diagram schema.tmp#CompoundStructureType_atomList schema.tmp#CompoundStructureType_bondList
Used by
Model
Children atomList, bondList
Source
 
<xs:complexType name="CompoundStructureType">
  <xs:annotation>
    <xs:documentation/>
  </xs:annotation>
  <xs:sequence>
    <xs:element name="atomList" maxOccurs="1" minOccurs="1" type="AtomListType"/>
    <xs:element maxOccurs="1" minOccurs="1" name="bondList" type="BondListType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AtomListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#AtomListType_atom
Used by
Model
Children atom
Source
 
<xs:complexType name="AtomListType">
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="atom" type="AtomType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AtomType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#AtomType_id NO_NAMESPACE.tmp#AtomType_elementType NO_NAMESPACE.tmp#AtomType_x NO_NAMESPACE.tmp#AtomType_y
Used by
Attributes
QName Type Use Annotation
elementType required 
The symbol for the element. For example: "H","C" or "Fe"
id xs:ID required 
An identifier unique to the file only, so that it can be referenced by the bond elements as well as by the spectrum annotations. Most people use "a1", "a2", ... , "aN"
x required 
The x position of the element in cartesian coordinates. The cordinates along with the bond information in the bond list should allow for software to draw a 2D representation of the chemical structure.
y required 
The y position of the element in cartesian coordinates. The cordinates along with the bond information in the bond list should allow for software to draw a 2D representation of the chemical structure.
Source
 
<xs:complexType name="AtomType">
  <xs:attribute name="id" type="xs:ID" use="required">
    <xs:annotation>
      <xs:documentation>An identifier unique to the file only, so that it can be referenced by the bond elements as well as by the spectrum annotations. Most people use "a1", "a2", ... , "aN"</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="elementType" use="required">
    <xs:annotation>
      <xs:documentation>The symbol for the element. For example: "H","C" or "Fe"</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="x" use="required">
    <xs:annotation>
      <xs:documentation>The x position of the element in cartesian coordinates. The cordinates along with the bond information in the bond list should allow for software to draw a 2D representation of the chemical structure.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="y" use="required">
    <xs:annotation>
      <xs:documentation>The y position of the element in cartesian coordinates. The cordinates along with the bond information in the bond list should allow for software to draw a 2D representation of the chemical structure.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type BondListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#BondListType_bond
Used by
Model
Children bond
Source
 
<xs:complexType name="BondListType">
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="bond" type="BondType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type BondType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#BondType_atomRefs NO_NAMESPACE.tmp#BondType_order
Used by
Attributes
QName Type Use Annotation
atomRefs required 
Contains a list of atom IDs seperated by a space. The atom ids are the atoms connected by the bond. For example: "a1 a2"
order required 
The order of the bond connecting two atoms. A single bond should be "1", a double bond should be "2", a triple bond should be "3".
Source
 
<xs:complexType name="BondType">
  <xs:attribute name="atomRefs" use="required">
    <xs:annotation>
      <xs:documentation>Contains a list of atom IDs seperated by a space. The atom ids are the atoms connected by the bond. For example: "a1 a2"</xs:documentation>
    </xs:annotation>
  </xs:attribute>
  <xs:attribute name="order" use="required">
    <xs:annotation>
      <xs:documentation>The order of the bond connecting two atoms. A single bond should be "1", a double bond should be "2", a triple bond should be "3".</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AtomAssignmentListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#AtomAssignmentListType_multiplet
Used by
Model
Children multiplet
Source
 
<xs:complexType name="AtomAssignmentListType">
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="multiplet" type="MultipletType">
      <xs:annotation>
        <xs:documentation>A cluster of 1 or more peaks that corresponds to specific atoms in a chemical structure.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type MultipletType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#MultipletType_center schema.tmp#MultipletType_atoms schema.tmp#MultipletType_multiplicity schema.tmp#MultipletType_peakList
Used by
Model
Children atoms, multiplicity, peakList
Attributes
QName Type Use Annotation
center required 
The center of the multiplet in ppm.
Source
 
<xs:complexType name="MultipletType">
  <xs:sequence>
    <xs:element name="atoms" type="AtomRefsType">
      <xs:annotation>
        <xs:documentation>Lists the atomRefs for atoms in the chemical structure that contribute to the multiplet. If the corresponding atoms are unknown than the list can be blank.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element name="multiplicity" type="CVTermType">
      <xs:annotation>
        <xs:documentation>A description of the type of multiplet that is annotated. For exmample a singlet, a doublet, a doublet of doublets, etc.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element name="peakList" type="PeakListType" minOccurs="0">
      <xs:annotation>
        <xs:documentation>A list of the positions and amplitudes of the peaks in the multiplet. Optional if the peaks are not identified. In which case the 'center' attribute offers a hint for annotation.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
  <xs:attribute name="center" use="required">
    <xs:annotation>
      <xs:documentation>The center of the multiplet in ppm.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AtomRefsType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#AtomRefsType_atomRefs
Used by
Attributes
QName Type Use
atomRefs optional
Source
 
<xs:complexType name="AtomRefsType">
  <xs:attribute name="atomRefs"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type PeakListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#PeakListType_peak
Used by
Model
Children peak
Source
 
<xs:complexType name="PeakListType">
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="peak" type="PeakType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type PeakType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#PeakType_center NO_NAMESPACE.tmp#PeakType_amplitude NO_NAMESPACE.tmp#PeakType_width
Used by
Attributes
QName Type Use
amplitude optional
center required
width optional
Source
 
<xs:complexType name="PeakType">
  <xs:attribute name="center" use="required"/>
  <xs:attribute name="amplitude"/>
  <xs:attribute name="width"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type QuantificationAnnotationType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#QuantificationAnnotationType_spectrumRef schema.tmp#QuantificationAnnotationType_quantificationMethod schema.tmp#QuantificationAnnotationType_quantifiedCompoundList
Used by
Model
Children quantificationMethod, quantifiedCompoundList
Attributes
QName Type Use Annotation
spectrumRef xs:IDREF required 
A reference to the id of the spectrum that this annotation is for.
Source
 
<xs:complexType name="QuantificationAnnotationType">
  <xs:sequence>
    <xs:element name="quantificationMethod" type="CVTermType"/>
    <xs:element name="quantifiedCompoundList" type="QuantifiedCompoundListType">
      <xs:annotation>
        <xs:documentation>A list of the quantified chemical compounds and the associated information about clusters of peaks in the spectrum.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
  <xs:attribute name="spectrumRef" type="xs:IDREF" use="required">
    <xs:annotation>
      <xs:documentation>A reference to the id of the spectrum that this annotation is for.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type QuantifiedCompoundListType
Namespace http://nmrml.org/schema
Annotations
 
Caputures information about analytes that have been quantified in a mixture. The infromation is about quantification and identification of the analytes.
Diagram
Diagram schema.tmp#QuantifiedCompoundListType_quantifiedCompound
Used by
Model
Children quantifiedCompound
Source
 
<xs:complexType name="QuantifiedCompoundListType">
  <xs:annotation>
    <xs:documentation>Caputures information about analytes that have been quantified in a mixture. The infromation is about quantification and identification of the analytes.</xs:documentation>
  </xs:annotation>
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="quantifiedCompound" type="QuantifiedCompoundType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type QuantifiedCompoundType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ChemicalCompoundType_name schema.tmp#ChemicalCompoundType_identifierList schema.tmp#ChemicalCompoundType_structure schema.tmp#ChemicalCompoundType schema.tmp#QuantifiedCompoundType_concentration schema.tmp#QuantifiedCompoundType_clusterList schema.tmp#QuantifiedCompoundType_peakList
Type extension of ChemicalCompoundType
Type hierarchy
Used by
Model
Children clusterList, concentration, identifierList, peakList, structure
Attributes
QName Type Use
name optional
Source
 
<xs:complexType name="QuantifiedCompoundType">
  <xs:complexContent>
    <xs:extension base="ChemicalCompoundType">
      <xs:sequence>
        <xs:element name="concentration" type="ValueWithUnitType"/>
        <xs:element minOccurs="0" name="clusterList" type="ClusterListType">
          <xs:annotation>
            <xs:documentation>A list of clusters of peaks that are aligned with the spectrum for quantification.</xs:documentation>
          </xs:annotation>
        </xs:element>
        <xs:element name="peakList" type="PeakListType" minOccurs="0">
          <xs:annotation>
            <xs:documentation>A list of the positions and amplitudes of the peaks that are associated with the compound. This is an alternative to the cluster list for the case where you want to record a fit but discard some of the information about the library you used to fit the spectrum.</xs:documentation>
          </xs:annotation>
        </xs:element>
      </xs:sequence>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ClusterListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#ClusterListType_cluster
Used by
Model
Children cluster
Source
 
<xs:complexType name="ClusterListType">
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="cluster" type="ClusterType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type ClusterType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#ClusterType_center NO_NAMESPACE.tmp#ClusterType_shift schema.tmp#ClusterType_peakList
Used by
Model
Children peakList
Attributes
QName Type Use
center optional
shift optional
Source
 
<xs:complexType name="ClusterType">
  <xs:sequence>
    <xs:element name="peakList" type="PeakListType">
      <xs:annotation>
        <xs:documentation>A list of the positions and amplitudes of the peaks in the multiplet. Optional if the peaks are not identified. In which case the 'center' attribute offers a hint for annotation.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
  <xs:attribute name="center"/>
  <xs:attribute name="shift"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type InChiStringType
Namespace http://nmrml.org/schema
Annotations
 
Captures the compound structure as an InChI, which allows for capturing a chemical structure as a string example:

InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
Diagram
Diagram
Source
 
<xs:complexType name="InChiStringType">
  <xs:annotation>
    <xs:documentation>Captures the compound structure as an InChI, which allows for capturing a chemical structure as a string example: InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1</xs:documentation>
  </xs:annotation>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SourceFileRefListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#SourceFileRefListType_sourceFileRef
Model
Children sourceFileRef
Source
 
<xs:complexType name="SourceFileRefListType">
  <xs:sequence>
    <xs:element minOccurs="0" maxOccurs="unbounded" name="sourceFileRef" type="dx:SourceFileRefType">
      <xs:annotation>
        <xs:documentation>Reference to a previously defined sourceFile.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type TemperatureType
Namespace http://nmrml.org/schema
Annotations
 
A temperature and references to a unit from the unit
ontology.
Diagram
Diagram NO_NAMESPACE.tmp#TemperatureType_temperature NO_NAMESPACE.tmp#TemperatureType_temperatureUnitName NO_NAMESPACE.tmp#TemperatureType_temperatureUnitID
Attributes
QName Type Use
temperature xs:float required
temperatureUnitID xs:ID optional
temperatureUnitName xs:string required
Source
 
<xs:complexType name="TemperatureType">
  <xs:annotation>
    <xs:documentation>A temperature and references to a unit from the unit ontology.</xs:documentation>
  </xs:annotation>
  <xs:attribute name="temperature" type="xs:float" use="required"/>
  <xs:attribute name="temperatureUnitName" type="xs:string" use="required"/>
  <xs:attribute name="temperatureUnitID" type="xs:ID"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type AcquisitionIndirectDimensionParameterSetType
Namespace http://nmrml.org/schema
Annotations
 
Descriptions of the acquisition parameters set prior to the start of data
acquisition specific to each NMR analysis dimension.
Diagram
Diagram NO_NAMESPACE.tmp#AcquisitionIndirectDimensionParameterSetType_decoupled NO_NAMESPACE.tmp#AcquisitionIndirectDimensionParameterSetType_acquisitionParamsFileRef NO_NAMESPACE.tmp#AcquisitionIndirectDimensionParameterSetType_numberOfDataPoints schema.tmp#AcquisitionIndirectDimensionParameterSetType_acquisitionNucleus schema.tmp#AcquisitionIndirectDimensionParameterSetType_effectiveExcitationField schema.tmp#AcquisitionIndirectDimensionParameterSetType_sweepWidth schema.tmp#AcquisitionIndirectDimensionParameterSetType_timeDomain schema.tmp#AcquisitionIndirectDimensionParameterSetType_encodingMethod schema.tmp#AcquisitionIndirectDimensionParameterSetType_irradiationFrequency
Model
Children acquisitionNucleus, effectiveExcitationField, encodingMethod, irradiationFrequency, sweepWidth, timeDomain
Attributes
QName Type Use
acquisitionParamsFileRef xs:anyURI required
decoupled xs:boolean required
numberOfDataPoints xs:integer required
Source
 
<xs:complexType name="AcquisitionIndirectDimensionParameterSetType">
  <xs:annotation>
    <xs:documentation>Descriptions of the acquisition parameters set prior to the start of data acquisition specific to each NMR analysis dimension.</xs:documentation>
  </xs:annotation>
  <xs:sequence>
    <xs:element name="acquisitionNucleus" type="CVTermType"/>
    <xs:element maxOccurs="1" minOccurs="1" name="effectiveExcitationField" type="ValueWithUnitType">
      <xs:annotation>
        <xs:documentation>replacing the hardPulse parameter, would be automatically calculated from the procs. If you say the pulse width you also have to specify the excitation angle so this way is more compact/useful Parsed from Excitation width ?</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="1" name="sweepWidth" type="ValueWithUnitType">
      <xs:annotation>
        <xs:documentation>TODO should be in ppm and Hz.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element name="timeDomain" type="BinaryDataArrayType">
      <xs:annotation>
        <xs:documentation>The time domain for the samples. Allows for capturing off grid points and non-uniform sampling.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element name="encodingMethod" type="CVTermType">
      <xs:annotation>
        <xs:documentation>The quadrature method.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element maxOccurs="1" minOccurs="1" name="irradiationFrequency" type="ValueWithUnitType">
      <xs:annotation>
        <xs:documentation>Frequency in ppm or Hz</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
  <xs:attribute name="decoupled" type="xs:boolean" use="required"/>
  <xs:attribute name="acquisitionParamsFileRef" type="xs:anyURI" use="required"/>
  <xs:attribute name="numberOfDataPoints" type="xs:integer" use="required"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SpectrumRefType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SpectrumRefType_ref
Used by
Attributes
QName Type Use Annotation
ref xs:IDREF required 
This attribute must reference the 'id' of the contact node in the
spectrumList.
Source
 
<xs:complexType name="SpectrumRefType">
  <xs:attribute name="ref" type="xs:IDREF" use="required">
    <xs:annotation>
      <xs:documentation>This attribute must reference the 'id' of the contact node in the spectrumList.</xs:documentation>
    </xs:annotation>
  </xs:attribute>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SpectrumRefListType
Namespace http://nmrml.org/schema
Diagram
Diagram schema.tmp#SpectrumRefListType_spectrumRef
Model
Children spectrumRef
Source
 
<xs:complexType name="SpectrumRefListType">
  <xs:sequence>
    <xs:element maxOccurs="unbounded" name="spectrumRef" type="SpectrumRefType">
      <xs:annotation>
        <xs:documentation>Reference to a previously defined SpectrumType</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SpectralProcessingParameterSetType
Namespace http://nmrml.org/schema
Annotations
 
Parameters recorded when raw data set is processed to create a
spectra.
Diagram
Diagram schema.tmp#SpectralProcessingParameterSetType_processingSoftwareRefList schema.tmp#SpectralProcessingParameterSetType_postAcquisitionSolventSuppressionMethod schema.tmp#SpectralProcessingParameterSetType_dataTransformationMethod schema.tmp#SpectralProcessingParameterSetType_calibrationCompound
Used by
Model
Children calibrationCompound, dataTransformationMethod, postAcquisitionSolventSuppressionMethod, processingSoftwareRefList
Source
 
<xs:complexType name="SpectralProcessingParameterSetType">
  <xs:annotation>
    <xs:documentation>Parameters recorded when raw data set is processed to create a spectra.</xs:documentation>
  </xs:annotation>
  <xs:sequence maxOccurs="1" minOccurs="1">
    <xs:element maxOccurs="unbounded" minOccurs="1" name="processingSoftwareRefList" type="SoftwareRefListType">
    </xs:element>
    <xs:element name="postAcquisitionSolventSuppressionMethod" type="CVTermType">
      <xs:annotation>
        <xs:documentation>The method used for post acquisition solvent suppression.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element name="dataTransformationMethod" type="CVTermType">
      <xs:annotation>
        <xs:documentation>The method used for time-based to frequency-based data tranformation.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <xs:element name="calibrationCompound" type="CVTermType"/>
  </xs:sequence>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SpectralProjectionParameterSetType
Namespace http://nmrml.org/schema
Diagram
Diagram NO_NAMESPACE.tmp#SpectralProjectionParameterSetType_projectionAxis schema.tmp#SpectralProjectionParameterSetType_projectionMethod
Model
Children projectionMethod
Attributes
QName Type Use
projectionAxis optional
Source
 
<xs:complexType name="SpectralProjectionParameterSetType">
  <xs:sequence>
    <xs:element name="projectionMethod" type="CVTermType"/>
  </xs:sequence>
  <xs:attribute name="projectionAxis"/>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
Complex Type SpectralProcessingParameterSet2DType
Namespace http://nmrml.org/schema
Annotations
 
Parameters recorded when raw data set is processed to create a 2D
spectra.
Diagram
Diagram schema.tmp#SpectralProcessingParameterSetType_processingSoftwareRefList schema.tmp#SpectralProcessingParameterSetType_postAcquisitionSolventSuppressionMethod schema.tmp#SpectralProcessingParameterSetType_dataTransformationMethod schema.tmp#SpectralProcessingParameterSetType_calibrationCompound schema.tmp#SpectralProcessingParameterSetType schema.tmp#SpectralProcessingParameterSet2DType_directDimensionParameterSet schema.tmp#SpectralProcessingParameterSet2DType_higherDimensionParameterSet
Type extension of SpectralProcessingParameterSetType
Type hierarchy
Model
Children calibrationCompound, dataTransformationMethod, directDimensionParameterSet, higherDimensionParameterSet, postAcquisitionSolventSuppressionMethod, processingSoftwareRefList
Source
 
<xs:complexType name="SpectralProcessingParameterSet2DType">
  <xs:annotation>
    <xs:documentation>Parameters recorded when raw data set is processed to create a 2D spectra.</xs:documentation>
  </xs:annotation>
  <xs:complexContent>
    <xs:extension base="SpectralProcessingParameterSetType">
      <xs:sequence maxOccurs="1" minOccurs="1">
        <xs:element maxOccurs="1" minOccurs="1" name="directDimensionParameterSet" type="FirstDimensionProcessingParameterSetType">
        </xs:element>
        <xs:element maxOccurs="2" minOccurs="1" name="higherDimensionParameterSet" type="HigherDimensionProcessingParameterSetType"/>
      </xs:sequence>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Schema location file:/C:/Workdir/COSMOS/Converter/dev/./xsd/nmrML.xsd
XML Schema documentation generated by ® XML Editor.