Definition Type: Element
Name: peakGroup
Namespace: http://www.xml-cml.org/schema
Containing Schema: schema.xsd
Abstract
Documentation:
A list of closely related peaks or peakGroups. Distinguish between peakList (primarily a navigational container) and peakGroup where the peaks (or groups) have some close relation not shared by all peaks. All descendants must use consistent units. 2005-11-22. added atomRefs, bondRefs and moleculeRefs and deprecated atom, bond, molecule children
Collapse XSD Schema Diagram:
Drilldown into molecule in schema schema_xsd Drilldown into bond in schema schema_xsd Drilldown into atom in schema schema_xsd Drilldown into peakGroup in schema schema_xsd Drilldown into peak in schema schema_xsd Drilldown into metadataList in schema schema_xsd Drilldown into moleculeRefs in schema schema_xsd Drilldown into moleculeRefs in schema schema_xsd Drilldown into bondRefs in schema schema_xsd Drilldown into bondRefs in schema schema_xsd Drilldown into atomRefs in schema schema_xsd Drilldown into atomRefs in schema schema_xsd Drilldown into yUnits in schema schema_xsd Drilldown into yUnits in schema schema_xsd Drilldown into yWidth in schema schema_xsd Drilldown into yWidth in schema schema_xsd Drilldown into yValue in schema schema_xsd Drilldown into yValue in schema schema_xsd Drilldown into yMax in schema schema_xsd Drilldown into yMax in schema schema_xsd Drilldown into yMin in schema schema_xsd Drilldown into yMin in schema schema_xsd Drilldown into xUnits in schema schema_xsd Drilldown into xUnits in schema schema_xsd Drilldown into xWidth in schema schema_xsd Drilldown into xWidth in schema schema_xsd Drilldown into xValue in schema schema_xsd Drilldown into xValue in schema schema_xsd Drilldown into xMax in schema schema_xsd Drilldown into xMax in schema schema_xsd Drilldown into xMin in schema schema_xsd Drilldown into xMin in schema schema_xsd Drilldown into peakUnits in schema schema_xsd Drilldown into peakUnits in schema schema_xsd Drilldown into integral in schema schema_xsd Drilldown into integral in schema schema_xsd Drilldown into peakShape in schema schema_xsd Drilldown into peakShape in schema schema_xsd Drilldown into peakMultiplicity in schema schema_xsd Drilldown into peakMultiplicity in schema schema_xsd Drilldown into peakHeight in schema schema_xsd Drilldown into peakHeight in schema schema_xsd Drilldown into ref in schema schema_xsd Drilldown into ref in schema schema_xsd Drilldown into id in schema schema_xsd Drilldown into id in schema schema_xsd Drilldown into title in schema schema_xsd Drilldown into title in schema schema_xsd Drilldown into convention in schema schema_xsd Drilldown into convention in schema schema_xsd Drilldown into dictRef in schema schema_xsd Drilldown into dictRef in schema schema_xsdXSD Diagram of peakGroup in schema schema_xsd (Chemical Markup Language (CML))
Collapse XSD Schema Code:
<xsd:element name="peakGroup" id="el.peakGroup">
    <xsd:annotation>
        <xsd:documentation>
            <h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">A list of closely related peaks or peakGroups.</h:div>
            <h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">Distinguish between <h:tt>peakList</h:tt> (primarily a navigational container) and <h:tt>peakGroup</h:tt> where the peaks (or groups) have some close relation not shared by all peaks. All descendants must use consistent units.</h:div>
            <h:div class="curation" xmlns:h="http://www.w3.org/1999/xhtml">2005-11-22. added atomRefs, bondRefs and moleculeRefs and deprecated 
            atom, bond, molecule children</h:div>
            <h:div class="example" href="peakGroup1.xml" xmlns:h="http://www.w3.org/1999/xhtml" />
        </xsd:documentation>
    </xsd:annotation>
    <xsd:complexType>
        <xsd:sequence>
            <xsd:element ref="metadataList" minOccurs="0">
                <xsd:annotation>
                    <xsd:documentation>
                        <h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Allows <h:i>inter alia</h:i> the provenance of the peak assignment to be recorde.</h:div>
                    </xsd:documentation>
                </xsd:annotation>
            </xsd:element>
            <xsd:choice minOccurs="0" maxOccurs="unbounded">
                <xsd:element ref="peak" />
                <xsd:element ref="peakGroup" />
                <xsd:element ref="atom">
                    <xsd:annotation>
                        <xsd:documentation>
                            <h:div class="curation" xmlns:h="http://www.w3.org/1999/xhtml">2005-11-22. DEPRECATED; use atomRefs</h:div>
                        </xsd:documentation>
                    </xsd:annotation>
                </xsd:element>
                <xsd:element ref="bond">
                    <xsd:annotation>
                        <xsd:documentation>
                            <h:div class="curation" xmlns:h="http://www.w3.org/1999/xhtml">2005-11-22. DEPRECATED; use bondRefs</h:div>
                        </xsd:documentation>
                    </xsd:annotation>
                </xsd:element>
                <xsd:element ref="molecule">
                    <xsd:annotation>
                        <xsd:documentation>
                            <h:div class="curation" xmlns:h="http://www.w3.org/1999/xhtml">2005-11-22. DEPRECATED; use moleculeRefs</h:div>
                        </xsd:documentation>
                    </xsd:annotation>
                </xsd:element>
            </xsd:choice>
        </xsd:sequence>
        <xsd:attributeGroup ref="dictRef" />
        <xsd:attributeGroup ref="convention" />
        <xsd:attributeGroup ref="title" />
        <xsd:attributeGroup ref="id" />
        <xsd:attributeGroup ref="ref" />
        <xsd:attributeGroup ref="peakHeight" />
        <xsd:attributeGroup ref="peakMultiplicity" />
        <xsd:attributeGroup ref="peakShape" />
        <xsd:attributeGroup ref="integral" />
        <xsd:attributeGroup ref="peakUnits" />
        <xsd:attributeGroup ref="xMin" />
        <xsd:attributeGroup ref="xMax" />
        <xsd:attributeGroup ref="xValue" />
        <xsd:attributeGroup ref="xWidth" />
        <xsd:attributeGroup ref="xUnits" />
        <xsd:attributeGroup ref="yMin" />
        <xsd:attributeGroup ref="yMax" />
        <xsd:attributeGroup ref="yValue" />
        <xsd:attributeGroup ref="yWidth" />
        <xsd:attributeGroup ref="yUnits" />
        <xsd:attributeGroup ref="atomRefs">
            <xsd:annotation>
                <xsd:documentation>
                    <h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Atoms contributing to this peak</h:div>
                    <h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">The primary set of atoms responsible for
		            the peak such as an NMR peak. Coupling constants and similar splitting
		            should not use this but peakStructure. At present there is no substructure to this
		            attribute or concept and only one attribute is allowed. It may be
		            combined with bondRefs. Even single atoms should use atomRefs, not atomRef.
		            </h:div>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attributeGroup>
        <xsd:attributeGroup ref="bondRefs">
            <xsd:annotation>
                <xsd:documentation>
                    <h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Bonds contributing to this peak</h:div>
                    <h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">The primary set of bonds responsible for
		            the peak such as an IR frequency. At present there is no substructure to this
		            attribute or concept and only one attribute is allowed. It may be
		            combined with atomRefs.</h:div>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attributeGroup>
        <xsd:attributeGroup ref="moleculeRefs">
            <xsd:annotation>
                <xsd:documentation>
                    <h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">Molecule(s) contributing to this peak</h:div>
                    <h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">The molecule or molecule responsible for
		            the peak. At present there is no substructure to this
		            attribute or concept and only one attribute is allowed. This might, for example,
		            be used to manage a mass spectrum or chromatogram</h:div>
                </xsd:documentation>
            </xsd:annotation>
        </xsd:attributeGroup>
    </xsd:complexType>
</xsd:element>
Collapse Child Elements:
Name Type Min Occurs Max Occurs
metadataList nsA:metadataList 0 (1)
peak nsA:peak (1) (1)
peakGroup nsA:peakGroup (1) (1)
atom nsA:atom (1) (1)
bond nsA:bond (1) (1)
molecule nsA:molecule (1) (1)
Collapse Child Attributes:
Name Type Default Value Use
dictRef nsA:dictRef (Optional)
convention nsA:convention (Optional)
title nsA:title (Optional)
id nsA:id (Optional)
ref nsA:ref (Optional)
peakHeight nsA:peakHeight (Optional)
peakMultiplicity nsA:peakMultiplicity (Optional)
peakShape nsA:peakShape (Optional)
integral nsA:integral (Optional)
peakUnits nsA:peakUnits (Optional)
xMin nsA:xMin (Optional)
xMax nsA:xMax (Optional)
xValue nsA:xValue (Optional)
xWidth nsA:xWidth (Optional)
xUnits nsA:xUnits (Optional)
yMin nsA:yMin (Optional)
yMax nsA:yMax (Optional)
yValue nsA:yValue (Optional)
yWidth nsA:yWidth (Optional)
yUnits nsA:yUnits (Optional)
atomRefs nsA:atomRefs (Optional)
bondRefs nsA:bondRefs (Optional)
moleculeRefs nsA:moleculeRefs (Optional)