element <peak> (global)

Namespace:	http://www.xml-cml.org/schema/cml2/react
Type:	anonymous complexType
Content:	complex, 20 attributes, 4 elements
Defined:	globally in cmlreact.xsd; see XML source
Includes:	definitions of 4 elements
Used:	at 2 locations

XML Representation Summary

<peak

convention	=	xsd:string
dictRef	=	xsd:string
id	=	xsd:string
integral	=	xsd:string
peakHeight	=	xsd:float
peakMultiplicity	=	(("singlet" \| "doublet" \| "triplet" \| "quartet" \| "quintet" \| "sextuplet" \| "multiplet") \| xsd:string)
peakShape	=	(("sharp" \| "broad" \| "shoulder") \| xsd:string)
peakUnits	=	xsd:string
ref	=	xsd:string
title	=	xsd:string
xMax	=	xsd:float
xMin	=	xsd:float
xUnits	=	xsd:string
xValue	=	xsd:float
xWidth	=	xsd:float
yMax	=	xsd:float
yMin	=	xsd:float
yUnits	=	xsd:string
yValue	=	xsd:float
yWidth	=	xsd:float

Content:

metadataList?, (atom | bond | molecule)*

</peak>

Content model elements (4):

atom, bond, metadataList, molecule

Included in content model of elements (2):

peakGroup, peakList

Known Usage Locations

Within anonymous complexTypes of elements (2):
peakGroup [ref], peakList [ref]

Annotation

<h:div class="summary">A peak; annotated by human or machine.</h:div> <h:div class="description"> <h:p>A <h:tt>peak</h:tt> can describe: <h:ul> <h:li>A single point in a spectrum. Usually a maximum but could be a shoulder, inflexion or indeed any point of interest.</h:li> <h:li>A continuous range of values within a spectrum, defined by maximum and minimum values on either/both axes</h:li> </h:ul> </h:p> </h:div> <h:div class="description">The units should always be given. (The raw spectral data may unfortunately use different units and no assumptions should be made).</h:div> <h:div class="example" href="peak1.xml"/>

XML Source (see within schema source)

<xsd:element id="el.peak" name="peak">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A peak; annotated by human or machine.</h:div>

<h:div class="description">

<h:p>

<h:tt>peak</h:tt>

can describe:

<h:ul>

<h:li>

A single point in a spectrum. Usually a maximum but could be a shoulder, inflexion or indeed any point of interest.

</h:li>

<h:li>

A continuous range of values within a spectrum, defined by maximum and minimum values on either/both axes

</h:li>

</h:ul>

</h:p>

</h:div>

<h:div class="description">

The units should always be given. (The raw spectral data may unfortunately use different units and no assumptions should be made).

</h:div>

<h:div class="example" href="peak1.xml"/>

</xsd:documentation>

</xsd:annotation>

<xsd:complexType>

<xsd:sequence>

<xsd:element minOccurs="0" ref="metadataList">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

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 maxOccurs="unbounded" minOccurs="0">

<xsd:element ref="atom"/>

<xsd:element ref="bond"/>

<xsd:element ref="molecule"/>

</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:complexType>

</xsd:element>

Attribute Detail (all declarations; 20/20)

convention

Type:	namespaceRefType
Use:	optional
Defined:	locally within convention attributeGroup

<h:div class="summary">A reference to a convention.</h:div> <h:div class="description">There is no controlled vocabulary for conventions, but the author must ensure that the semantics are openly available and that there are mechanisms for implementation. The convention is inherited by all the subelements, so that a convention for <h:tt>molecule</h:tt> would by default extend to its <h:tt>bond</h:tt> and <h:tt>atom</h:tt> children. This can be overwritten if necessary by an explicit <h:tt>convention</h:tt>. <h:p>It may be useful to create conventions with namespaces (e.g. <h:tt>iupac:name</h:tt>). Use of <h:tt>convention</h:tt> will normally require non-STMML semantics, and should be used with caution. We would expect that conventions prefixed with "ISO" would be useful, such as ISO8601 for dateTimes.</h:p> <h:p>There is no default, but the conventions of STMML or the related language (e.g. CML) will be assumed.</h:p> </h:div> <h:div class="example" href="convGroup1.xml" id="ex"/>

XML Source (see within schema source)

<xsd:attribute id="att.convention" name="convention" type="namespaceRefType">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A reference to a convention.</h:div>

<h:div class="description">

There is no controlled vocabulary for conventions, but the author must ensure that the semantics are openly available and that there are mechanisms for implementation. The convention is inherited by all the subelements,
so that a convention for

<h:tt>molecule</h:tt>

would by default extend to its

<h:tt>bond</h:tt>

and

<h:tt>atom</h:tt>

children. This can be overwritten
if necessary by an explicit

<h:tt>convention</h:tt>

<h:p>

It may be useful to create conventions with namespaces (e.g.

<h:tt>iupac:name</h:tt>

).
Use of

<h:tt>convention</h:tt>

will normally require non-STMML semantics, and should be used with
caution. We would expect that conventions prefixed with "ISO" would be useful,
such as ISO8601 for dateTimes.

</h:p>

<h:p>

There is no default, but the conventions of STMML or the related language (e.g. CML) will be assumed.

</h:p>

</h:div>

<h:div class="example" href="convGroup1.xml" id="ex"/>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

dictRef

Type:	namespaceRefType
Use:	optional
Defined:	locally within dictRef attributeGroup

<h:div class="summary">A reference to a dictionary entry.</h:div> <h:div class="description">Elements in data instances such as _scalar_ may have a <h:tt>dictRef</h:tt> attribute to point to an entry in a dictionary. To avoid excessive use of (mutable) filenames and URIs we recommend a namespace prefix, mapped to a namespace URI in the normal manner. In this case, of course, the namespace URI must point to a real XML document containing _entry_ elements and validated against STMML Schema. <h:p>Where there is concern about the dictionary becoming separated from the document the dictionary entries can be physically included as part of the data instance and the normal XPointer addressing mechanism can be used.</h:p> <h:p>This attribute can also be used on _dictionary_ elements to define the namespace prefix</h:p> </h:div> <h:div class="example" href="dictRefGroup1.xml"/>

XML Source (see within schema source)

<xsd:attribute id="att.dictRef" name="dictRef" type="namespaceRefType">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A reference to a dictionary entry.</h:div>

<h:div class="description">

Elements in data instances such as _scalar_ may have a

<h:tt>dictRef</h:tt>

attribute to point to an entry in a dictionary. To avoid excessive use of (mutable) filenames and URIs we recommend a namespace prefix, mapped to a namespace URI in the normal manner. In this case, of course, the namespace URI must point to a real XML document containing _entry_ elements and validated against STMML Schema.

<h:p>

Where there is concern about the dictionary becoming separated from the document the dictionary entries can be physically included as part of the data instance and the normal XPointer addressing mechanism can be used.

</h:p>

<h:p>

This attribute can also be used on _dictionary_ elements to define the namespace prefix

</h:p>

</h:div>

<h:div class="example" href="dictRefGroup1.xml"/>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

Type:	idType
Use:	optional
Defined:	locally within id attributeGroup

<h:div class="summary">An attribute providing a unique ID for an element.</h:div> <h:div class="description"/>

XML Source (see within schema source)

<xsd:attribute id="att.id" name="id" type="idType">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

An attribute providing a unique ID for an element.

</h:div>

<h:div class="description"/>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

integral

Type:	xsd:string, predefined
Use:	optional
Defined:	locally within integral attributeGroup

<h:div class="summary">Area under a peak.</h:div> <h:div class="description">Unfortunately units are usually arbitrary and not related to the x- and y- axis units, and in this case _peakUnits_ should be use.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.integral" name="integral" type="xsd:string">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Area under a peak.</h:div>

<h:div class="description">

Unfortunately units are usually arbitrary and not related to the x- and y- axis units, and in this case _peakUnits_ should be use.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

peakHeight

Type:	xsd:float, predefined
Use:	optional
Defined:	locally within peakHeight attributeGroup

<h:div class="summary">Height of a peak.</h:div> <h:div class="description">For 1-dimensional data (e.g. y vs x) hould use the same units as the appropriate axis (e.g. y).</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.peakHeight" name="peakHeight" type="xsd:float">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Height of a peak.</h:div>

<h:div class="description">

For 1-dimensional data (e.g. y vs x) hould use the same units as the appropriate axis (e.g. y).

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

peakMultiplicity

Type:	anonymous simpleType (union of (restriction of xsd:string \| restriction of namespaceRefType))
Use:	optional
Defined:	locally within peakMultiplicity attributeGroup

<h:div class="summary">Multiplicity of a peak.</h:div> <h:div class="description">Uses a semi-controlled vocabulary.</h:div>

Anonymous simpleType

Derivation:

by union

Member Types

anonymous simpleType:

Derivation:

restriction of xsd:string
anonymous simpleType:

Derivation:

restriction of namespaceRefType

XML Source (see within schema source)

<xsd:attribute id="att.peakMultiplicity" name="peakMultiplicity">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Multiplicity of a peak.</h:div>

<h:div class="description">Uses a semi-controlled vocabulary.</h:div>

</xsd:documentation>

</xsd:annotation>

<xsd:simpleType>

<xsd:union>

<xsd:simpleType>

<xsd:restriction base="xsd:string">

<xsd:enumeration value="singlet">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A single maximum within the peak rang.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:enumeration>

<xsd:enumeration value="doublet">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

Two maxima (not necessarily equal) within the peak rang.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:enumeration>

<xsd:enumeration value="triplet">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

Three maxima (not necessarily equal) within the peak rang.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:enumeration>

<xsd:enumeration value="quartet">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

Four maxima (not necessarily equal) within the peak rang.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:enumeration>

<xsd:enumeration value="quintet">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

Five maxima (not necessarily equal) within the peak rang.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:enumeration>

<xsd:enumeration value="sextuplet">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

Six maxima (not necessarily equal) within the peak rang.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:enumeration>

<xsd:enumeration value="multiplet">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

Several maxima (not necessarily equal) within the peak rang.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:enumeration>

</xsd:restriction>

</xsd:simpleType>

<xsd:simpleType>

<xsd:restriction base="namespaceRefType">

<xsd:annotation>

<xsd:documentation>

<h:div>User contributed vocabulary of type foo:ba.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:restriction>

</xsd:simpleType>

</xsd:union>

</xsd:simpleType>

</xsd:attribute>

peakShape

Type:	anonymous simpleType (union of (restriction of xsd:string \| restriction of namespaceRefType))
Use:	optional
Defined:	locally within peakShape attributeGroup

<h:div class="summary">Shape of a peak.</h:div> <h:div class="description">Semi-controlled vocabulary such as broad or sharp.</h:div>

Anonymous simpleType

Derivation:

by union

Member Types

anonymous simpleType:

Derivation:

restriction of xsd:string
anonymous simpleType:

Derivation:

restriction of namespaceRefType

XML Source (see within schema source)

<xsd:attribute id="att.peakShape" name="peakShape">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Shape of a peak.</h:div>

<h:div class="description">

Semi-controlled vocabulary such as broad or sharp.

</h:div>

</xsd:documentation>

</xsd:annotation>

<xsd:simpleType>

<xsd:union>

<xsd:simpleType>

<xsd:restriction base="xsd:string">

<xsd:enumeration value="sharp">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A sharp peak.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:enumeration>

<xsd:enumeration value="broad">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A broad peak.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:enumeration>

<xsd:enumeration value="shoulder">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

A brodening of a peak suggesting the presence of a smaller incompletely resolved component.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:enumeration>

</xsd:restriction>

</xsd:simpleType>

<xsd:simpleType>

<xsd:restriction base="namespaceRefType">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">User contributed vocabulary of type foo:bar.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:restriction>

</xsd:simpleType>

</xsd:union>

</xsd:simpleType>

</xsd:attribute>

peakUnits

Type:	unitsType
Use:	optional
Defined:	locally within peakUnits attributeGroup

<h:div class="summary">Units for a peak or peak integral.</h:div> <h:div class="description">For 2-dimensional spectra the units represent the observation. For an integral they are usually arbitrary and not related to the x- and y- axis units. Thus NMR spectra may use hydrogen count as the units for the peak area.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.peakUnits" name="peakUnits" type="unitsType">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Units for a peak or peak integral.</h:div>

<h:div class="description">

For 2-dimensional spectra the units represent the observation. For an integral they are usually arbitrary and not related to the x- and y- axis units. Thus NMR spectra may use hydrogen count as the units for the peak area.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

ref

Type:	refType
Use:	optional
Defined:	locally within ref attributeGroup

<h:div class="summary">A reference to an element of given type.</h:div> <h:div class="description"> <h:tt>ref</h:tt> modifies an element into a reference to an existing element of that type within the document. This is similar to a pointer and it can be thought of a strongly typed hyperlink. It may also be used for "subclassing" or "overriding" elements.<br/> When referring to an element most of the "data" such as attribute values and element content will be on the full instantiated element. Therefore ref (and possibly id) will normally be the only attributes on the pointing element. However there may be some attributes (title, count, etc.) which have useful semantics, but these are element-specific</h:div> <h:div class="example" href="refGroup1.xml"/>

XML Source (see within schema source)

<xsd:attribute id="att.ref" name="ref" type="refType">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A reference to an element of given type.</h:div>

<h:div class="description">

<h:tt>ref</h:tt>

modifies an element into a reference to an existing element of that type within the document. This is similar to a pointer and it can be thought of a strongly typed hyperlink. It may also be used for "subclassing" or "overriding" elements.

When referring to an element most of the "data" such as attribute values and element content will be on the full instantiated element. Therefore ref (and possibly id) will normally be the only attributes on the pointing element. However there may be some attributes (title, count, etc.) which have useful semantics, but these are element-specific

</h:div>

<h:div class="example" href="refGroup1.xml"/>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

title

Type:	xsd:string, predefined
Use:	optional
Defined:	locally within title attributeGroup

<h:div class="summary">A title on an element.</h:div> <h:div class="description">No controlled value.</h:div> <h:div class="example" href="title1.xml"/>

XML Source (see within schema source)

<xsd:attribute id="att.title" name="title" type="xsd:string">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">A title on an element.</h:div>

<h:div class="description">No controlled value.</h:div>

<h:div class="example" href="title1.xml"/>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

xMax

Type:	xsd:float, predefined
Use:	optional
Defined:	locally within xMax attributeGroup

<h:div class="summary">Maximum yValue.</h:div> <h:div class="description">Annotates x-axis data with a maximum value. This need not be algorithmically deducible from the data and is typically used for the extent of a _peak_ or _peakGroup_. It uses xUnits or the same units as the data. There may or may not be a _xMin_ attribute but if so xMax should be greater than or equals to it.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.xMax" name="xMax" type="xsd:float">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Maximum yValue.</h:div>

<h:div class="description">

Annotates x-axis data with a maximum value. This need not be algorithmically deducible from the data and is typically used for the extent of a _peak_ or _peakGroup_. It uses xUnits or the same units as the data. There may or may not be a _xMin_ attribute but if so xMax should be greater than or equals to it.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

xMin

Type:	xsd:float, predefined
Use:	optional
Defined:	locally within xMin attributeGroup

<h:div class="summary">Minimum yValue.</h:div> <h:div class="description">Annotates x-axis data with a minimum value. This need not be algorithmically deducible from the data and is typically used for the extent of a _peak_ or _peakGroup_. It uses xUnits or the same units as the data. There may or may not be a _xMax_ attribute but if so xMin should be less than or equals to it.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.xMin" name="xMin" type="xsd:float">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Minimum yValue.</h:div>

<h:div class="description">

Annotates x-axis data with a minimum value. This need not be algorithmically deducible from the data and is typically used for the extent of a _peak_ or _peakGroup_. It uses xUnits or the same units as the data. There may or may not be a _xMax_ attribute but if so xMin should be less than or equals to it.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

xUnits

Type:	unitsType
Use:	optional
Defined:	locally within xUnits attributeGroup

<h:div class="summary">Units for x axis.</h:div> <h:div class="description">All x-axis data must have unambiguous units. Ideally the data and _xMin_ or _xValue_ should share the same units but different xUnits can be used as long as it is clear..</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.xUnits" name="xUnits" type="unitsType">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Units for x axis.</h:div>

<h:div class="description">

All x-axis data must have unambiguous units. Ideally the data and _xMin_ or _xValue_ should share the same units but different xUnits can be used as long as it is clear..

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

xValue

Type:	xsd:float, predefined
Use:	optional
Defined:	locally within xValue attributeGroup

<h:div class="summary">Value along an x axis.</h:div> <h:div class="description">Annotates x-axis data with a value. It is typically used for the location of a _peak_ or _peakGroup_. It uses xUnits or the same units as the data.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.xValue" name="xValue" type="xsd:float">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Value along an x axis.</h:div>

<h:div class="description">

Annotates x-axis data with a value. It is typically used for the location of a _peak_ or _peakGroup_. It uses xUnits or the same units as the data.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

xWidth

Type:	xsd:float, predefined
Use:	optional
Defined:	locally within xWidth attributeGroup

<h:div class="summary">An unsigned interval along an x axis.</h:div> <h:div class="description">It is typically used for the width of a _peak_ or _peakGroup_ but could be used for any range. It uses xUnits or the same units as the data.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.xWidth" name="xWidth" type="xsd:float">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">An unsigned interval along an x axis.</h:div>

<h:div class="description">

It is typically used for the width of a _peak_ or _peakGroup_ but could be used for any range. It uses xUnits or the same units as the data.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

yMax

Type:	xsd:float, predefined
Use:	optional
Defined:	locally within yMax attributeGroup

<h:div class="summary">Maximum yValue.</h:div> <h:div class="description">Annotates y-axis data with a maximum value. This need not be algorithmically deducible from the data and is typically used for the extent of a _peak_ or _peakGroup_. It uses yUnits or the same units as the data. There may or may not be a _yMin_ attribute but if so yMax should be greater than or equals to it.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.yMax" name="yMax" type="xsd:float">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Maximum yValue.</h:div>

<h:div class="description">

Annotates y-axis data with a maximum value. This need not be algorithmically deducible from the data and is typically used for the extent of a _peak_ or _peakGroup_. It uses yUnits or the same units as the data. There may or may not be a _yMin_ attribute but if so yMax should be greater than or equals to it.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

yMin

Type:	xsd:float, predefined
Use:	optional
Defined:	locally within yMin attributeGroup

<h:div class="summary">Minimum yValue.</h:div> <h:div class="description">Annotates y-axis data with a minimum value. This need not be algorithmically deducible from the data and is typically used for the extent of a _peak_ or _peakGroup_. It uses yUnits or the same units as the data. There may or may not be a _yMax_ attribute but if so yMin should be less than or equal to it.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.yMin" name="yMin" type="xsd:float">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Minimum yValue.</h:div>

<h:div class="description">

Annotates y-axis data with a minimum value. This need not be algorithmically deducible from the data and is typically used for the extent of a _peak_ or _peakGroup_. It uses yUnits or the same units as the data. There may or may not be a _yMax_ attribute but if so yMin should be less than or equal to it.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

yUnits

Type:	unitsType
Use:	optional
Defined:	locally within yUnits attributeGroup

<h:div class="summary">Units for y axis.</h:div> <h:div class="description">All y-axis data must have unambiguous units. Ideally the data and _yMin_ or _yValue_ should share the same units but different yUnits can be used as long as it is clear.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.yUnits" name="yUnits" type="unitsType">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Units for y axis.</h:div>

<h:div class="description">

All y-axis data must have unambiguous units. Ideally the data and _yMin_ or _yValue_ should share the same units but different yUnits can be used as long as it is clear.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

yValue

Type:	xsd:float, predefined
Use:	optional
Defined:	locally within yValue attributeGroup

<h:div class="summary">Value along a y axis.</h:div> <h:div class="description">Annotates y-axis data with a value. It is typically used for the location of a _peak_ or _peakGroup_. It uses yUnits or the same units as the data.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.yValue" name="yValue" type="xsd:float">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">Value along a y axis.</h:div>

<h:div class="description">

Annotates y-axis data with a value. It is typically used for the location of a _peak_ or _peakGroup_. It uses yUnits or the same units as the data.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

yWidth

Type:	xsd:float, predefined
Use:	optional
Defined:	locally within yWidth attributeGroup

<h:div class="summary">An unsigned interval along a y axis.</h:div> <h:div class="description">It is typically used for the width of a _peak_ or _peakGroup_ but could be used for any range. It uses yUnits or the same units as the data.</h:div>

XML Source (see within schema source)

<xsd:attribute id="att.yWidth" name="yWidth" type="xsd:float">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">An unsigned interval along a y axis.</h:div>

<h:div class="description">

It is typically used for the width of a _peak_ or _peakGroup_ but could be used for any range. It uses yUnits or the same units as the data.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:attribute>

Content Element Detail (all declarations; 4/4)

atom

Type:	anonymous complexType, complex content
Defined:	by reference within (this) peak element

XML Source (see within schema source)

<xsd:element ref="atom"/>

bond

Type:	anonymous complexType, complex content
Defined:	by reference within (this) peak element

XML Source (see within schema source)

<xsd:element ref="bond"/>

metadataList

Type:	anonymous complexType, complex content
Defined:	by reference within (this) peak element

<h:div class="summary">Allows <h:i>inter alia</h:i> the provenance of the peak assignment to be recorde.</h:div>

XML Source (see within schema source)

<xsd:element minOccurs="0" ref="metadataList">

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">

Allows

<h:i>inter alia</h:i>

the provenance of the peak assignment to be recorde.

</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:element>

molecule

Type:	anonymous complexType, complex content
Defined:	by reference within (this) peak element

XML Source (see within schema source)

<xsd:element ref="molecule"/>

This XML schema documentation has been generated with DocFlex/XML RE 1.8.5 using DocFlex/XML XSDDoc 2.5.0 template set.

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