element <sample> (global)

Namespace:	http://www.xml-cml.org/schema/cml2/react
Type:	anonymous complexType
Content:	complex, 6 attributes, 4 elements
Defined:	globally in cmlreact.xsd; see XML source
Includes:	definitions of 4 elements
Used:	at 1 location

XML Representation Summary

<sample

convention	=	xsd:string
dictRef	=	xsd:string
id	=	xsd:string
ref	=	xsd:string
state	=	(("aqueous" \| "gas" \| "glass" \| "liquid" \| "nematic" \| "smectic" \| "solid" \| "solidSolution" \| "solution") \| xsd:string)
title	=	xsd:string

Content:

metadataList*, (molecule | substance | substanceList)*

</sample>

Content model elements (4):

metadataList, molecule, substance, substanceList

Included in content model of elements (1):

spectrum

Known Usage Locations

Within anonymous complexTypes of elements (1):
spectrum [ref]

Annotation

<h:div class="summary">An analytical or spectral sample.</h:div> <h:div class="description">The <h:tt>sample</h:tt> should contain information on what things were in the sample and their roles. It can include <h:tt>molecule</h:tt>, <h:tt>substance</h:tt> and <h:tt>substanceList</h:tt>. Typical rolos include solvent, mulling agents, salt disks, molecular supports, etc. but should not cover apparatus or conditions.</h:div> <h:div class="example" href="sample1.xml"/>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">An analytical or spectral sample.</h:div>

<h:div class="description">

The

<h:tt>sample</h:tt>

should contain information on what things were in the sample and their roles. It can include

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

<h:tt>substance</h:tt>

and

<h:tt>substanceList</h:tt>

. Typical rolos include solvent, mulling agents, salt disks, molecular supports, etc. but should not cover apparatus or conditions.

</h:div>

<h:div class="example" href="sample1.xml"/>

</xsd:documentation>

</xsd:annotation>

<xsd:complexType>

<xsd:sequence>

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="metadataList"/>

<xsd:choice maxOccurs="unbounded" minOccurs="0">

<xsd:element ref="molecule">

<xsd:annotation>

<xsd:documentation>

<h:div>A molecular description.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:element>

<xsd:element ref="substance">

<xsd:annotation>

<xsd:documentation>

<h:div>A substance in the sample.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:element>

<xsd:element ref="substanceList">

<xsd:annotation>

<xsd:documentation>

<h:div>A list of substances in the sample.</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="state"/>

</xsd:complexType>

</xsd:element>

Attribute Detail (all declarations; 6/6)

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>

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>

state

Type:	stateType
Use:	optional
Defined:	locally within state attributeGroup

<h:div class="summary">The physical state of the substance.</h:div> <h:div class="description">No fixed semantics or default.</h:div>

XML Source (see within schema source)

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

<xsd:annotation>

<xsd:documentation>

<h:div class="summary">The physical state of the substance.</h:div>

<h:div class="description">No fixed semantics or default.</h:div>

</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>

Content Element Detail (all declarations; 4/4)

metadataList

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

XML Source (see within schema source)

<xsd:element maxOccurs="unbounded" minOccurs="0" ref="metadataList"/>

molecule

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

<h:div>A molecular description.</h:div>

XML Source (see within schema source)

<xsd:element ref="molecule">

<xsd:annotation>

<xsd:documentation>

<h:div>A molecular description.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:element>

substance

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

<h:div>A substance in the sample.</h:div>

XML Source (see within schema source)

<xsd:element ref="substance">

<xsd:annotation>

<xsd:documentation>

<h:div>A substance in the sample.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:element>

substanceList

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

<h:div>A list of substances in the sample.</h:div>

XML Source (see within schema source)

<xsd:element ref="substanceList">

<xsd:annotation>

<xsd:documentation>

<h:div>A list of substances in the sample.</h:div>

</xsd:documentation>

</xsd:annotation>

</xsd:element>

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