Documentation for Chemical Markup Language (CML)
Definition Type: Element
Name: sample
Namespace: http://www.xml-cml.org/schema
Containing Schema: schema.xsd
Abstract
Documentation:
An analytical or spectral sample. The sample should contain information on what things were in the sample and their roles. It can include molecule, substance and substanceList. Typical rolos include solvent, mulling agents, salt disks, molecular supports, etc. but should not cover apparatus or conditions.
Collapse XSD Schema Diagram:
Drilldown into substanceList in schema schema_xsd Drilldown into substance in schema schema_xsd Drilldown into molecule in schema schema_xsd Drilldown into metadataList in schema schema_xsd Drilldown into state in schema schema_xsd Drilldown into state 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 sample in schema schema_xsd (Chemical Markup Language (CML))
Collapse XSD Schema Code: 
<xsd:element name="sample" id="el.sample">
    <xsd:annotation>
        <xsd:documentation>
            <h:div class="summary" xmlns:h="http://www.w3.org/1999/xhtml">An analytical or spectral sample.</h:div>
            <h:div class="description" xmlns:h="http://www.w3.org/1999/xhtml">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" xmlns:h="http://www.w3.org/1999/xhtml" />
        </xsd:documentation>
    </xsd:annotation>
    <xsd:complexType>
        <xsd:sequence>
            <xsd:element ref="metadataList" minOccurs="0" maxOccurs="unbounded" />
            <xsd:choice minOccurs="0" maxOccurs="unbounded">
                <xsd:element ref="molecule">
                    <xsd:annotation>
                        <xsd:documentation>
                            <h:div xmlns:h="http://www.w3.org/1999/xhtml">A molecular description.</h:div>
                        </xsd:documentation>
                    </xsd:annotation>
                </xsd:element>
                <xsd:element ref="substance">
                    <xsd:annotation>
                        <xsd:documentation>
                            <h:div xmlns:h="http://www.w3.org/1999/xhtml">A substance in the sample.</h:div>
                        </xsd:documentation>
                    </xsd:annotation>
                </xsd:element>
                <xsd:element ref="substanceList">
                    <xsd:annotation>
                        <xsd:documentation>
                            <h:div xmlns:h="http://www.w3.org/1999/xhtml">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>
Collapse Child Elements:
Name Type Min Occurs Max Occurs
metadataList nsA:metadataList 0 unbounded
molecule nsA:molecule (1) (1)
substance nsA:substance (1) (1)
substanceList nsA:substanceList (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)
state nsA:state (Optional)
Documentation for Chemical Markup Language (CML)

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