<?xml version="1.0" encoding="UTF-8"?>
<!-- edited with XMLSpy v2005 sp1 U (http://www.xmlspy.com) by Steve O'Hagan (The University of Manchester) -->
<!-- 
    SCHEMA: admin.xsd
    AUTHOR: Irena Spasic
    LAST CHANGE: 16-11-2005
    DESCRIPTION: This document provides an XML schema for metabolomics studies.
-->
<xs:schema xmlns:ADM="http://www.admin.com" xmlns:xs="http://www.w3.org/2001/XMLSchema" xmlns:RMN="http://www.Raman.com" xmlns:FTIR="http://www.FTIR.com" xmlns:GCMS="http://www.GCMS.com" xmlns:DIMS="http://www.DIMS.com" xmlns:FTP="http://www.footprint.com" xmlns:GRP="http://www.growthprotocol.com" xmlns:MSM="http://www.msmini.com" targetNamespace="http://www.admin.com" elementFormDefault="unqualified" attributeFormDefault="unqualified">
	<xs:annotation>
		<xs:documentation>Administrative data about the experiments and personnel involved.</xs:documentation>
	</xs:annotation>
	<xs:import namespace="http://www.footprint.com" schemaLocation="footprint.xsd"/>
	<xs:import namespace="http://www.growthprotocol.com" schemaLocation="growthprotocol.xsd"/>
	<xs:import namespace="http://www.Raman.com" schemaLocation="raman.xsd"/>
	<xs:import namespace="http://www.FTIR.com" schemaLocation="equinox55.xsd"/>
	<xs:import namespace="http://www.GCMS.com" schemaLocation="leco.xsd"/>
	<xs:import namespace="http://www.DIMS.com" schemaLocation="masslynx.xsd"/>
	<xs:import namespace="http://www.msmini.com" schemaLocation="msmini.xsd"/>
	<xs:element name="Person">
		<xs:annotation>
			<xs:documentation>A person responsible for conducting an experiment</xs:documentation>
		</xs:annotation>
		<xs:complexType>
			<xs:sequence>
				<xs:element name="name">
					<xs:annotation>
						<xs:documentation>Name of the person conducting an experiment.</xs:documentation>
					</xs:annotation>
					<xs:complexType>
						<xs:sequence>
							<xs:element name="firstName" type="xs:string"/>
							<xs:element name="surname" type="xs:string"/>
						</xs:sequence>
					</xs:complexType>
				</xs:element>
				<xs:element name="affiliation" type="xs:IDREF" minOccurs="0">
					<xs:annotation>
						<xs:documentation>Affiliation of the person conducting an experiment.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="position" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>Position of the person conducting an experiment.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element ref="ADM:address" minOccurs="0"/>
				<xs:element name="phone" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>Telephone number of the person conducting an experiment.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="e_mail" type="xs:string">
					<xs:annotation>
						<xs:documentation>E-mail address of the person conducting an experiment.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="other">
					<xs:annotation>
						<xs:documentation>Additional information about the person</xs:documentation>
					</xs:annotation>
				</xs:element>
			</xs:sequence>
			<xs:attribute name="ID" type="xs:ID" use="required">
				<xs:annotation>
					<xs:documentation>An identifier for the person conducting an experiment.</xs:documentation>
				</xs:annotation>
			</xs:attribute>
		</xs:complexType>
		<xs:key name="PersonID">
			<xs:selector xpath="."/>
			<xs:field xpath="@ID"/>
		</xs:key>
		<xs:keyref name="Affiliation" refer="ADM:LabID">
			<xs:selector xpath="."/>
			<xs:field xpath="affiliation"/>
		</xs:keyref>
	</xs:element>
	<xs:element name="Lab">
		<xs:annotation>
			<xs:documentation>A lab at which experiments can be performed</xs:documentation>
		</xs:annotation>
		<xs:complexType>
			<xs:sequence>
				<xs:element name="name" type="xs:string">
					<xs:annotation>
						<xs:documentation>The name of the lab.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element ref="ADM:address" minOccurs="0"/>
				<xs:element name="phone" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>Telephone number of the person conducting an experiment.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="e_mail" type="xs:string">
					<xs:annotation>
						<xs:documentation>E-mail address for the lab.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="contact_person" type="xs:IDREF" minOccurs="0"/>
				<xs:element ref="ADM:comment"/>
			</xs:sequence>
			<xs:attribute name="ID" type="xs:ID" use="required">
				<xs:annotation>
					<xs:documentation>An identifier for the person conducting an experiment.</xs:documentation>
				</xs:annotation>
			</xs:attribute>
		</xs:complexType>
		<xs:key name="LabID">
			<xs:selector xpath="."/>
			<xs:field xpath="@ID"/>
		</xs:key>
		<xs:keyref name="ContactPerson" refer="ADM:PersonID">
			<xs:selector xpath="."/>
			<xs:field xpath="contact_person"/>
		</xs:keyref>
	</xs:element>
	<xs:element name="Method">
		<xs:annotation>
			<xs:documentation>A global method upon which an experiment protocol is based (e.g. metabolic footprinting for sample preparation, GCMS for analysis, GP for data mining, ...)</xs:documentation>
		</xs:annotation>
		<xs:complexType>
			<xs:sequence>
				<xs:element name="name" type="xs:string">
					<xs:annotation>
						<xs:documentation>The name used for the particular method (e.g. Gas Chromatography / Mass Spectrometry).</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="description" type="xs:string">
					<xs:annotation>
						<xs:documentation>A short description of the method.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element ref="ADM:comment"/>
			</xs:sequence>
			<xs:attribute name="ID" type="xs:ID" use="required"/>
		</xs:complexType>
		<xs:key name="MethodID">
			<xs:selector xpath="."/>
			<xs:field xpath="@ID"/>
		</xs:key>
	</xs:element>
	<xs:element name="Program">
		<xs:annotation>
			<xs:documentation>A particular software package</xs:documentation>
		</xs:annotation>
		<xs:complexType>
			<xs:sequence>
				<xs:element name="name" type="xs:string">
					<xs:annotation>
						<xs:documentation>The name used for the particular software</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="manufacturer" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The name of the manufacturer of the software</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="version" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The version of the software</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="licence" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The type of licence (single or multiple user, open source, ...)</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="user" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>User(s) that holds the licence</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="key_code" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The key code used to activate the software</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="expiry_date" type="xs:date" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The licence expiry date</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="platforms" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The platforms on which the software runs</xs:documentation>
					</xs:annotation>
					<xs:complexType>
						<xs:sequence>
							<xs:element name="OS" type="xs:string" maxOccurs="unbounded">
								<xs:annotation>
									<xs:documentation>Operative system.</xs:documentation>
								</xs:annotation>
							</xs:element>
						</xs:sequence>
					</xs:complexType>
				</xs:element>
				<xs:element name="files_url" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The location of the installation files</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element ref="ADM:comment" minOccurs="0"/>
			</xs:sequence>
			<xs:attribute name="ID" type="xs:ID" use="required"/>
			<xs:attribute name="methodology" type="xs:IDREF" use="required">
				<xs:annotation>
					<xs:documentation>A reference to the methodology implemented by the software</xs:documentation>
				</xs:annotation>
			</xs:attribute>
		</xs:complexType>
		<xs:key name="ProgramID">
			<xs:selector xpath="."/>
			<xs:field xpath="@ID"/>
		</xs:key>
		<xs:keyref name="Methodology" refer="ADM:MethodID">
			<xs:selector xpath="."/>
			<xs:field xpath="@methodology"/>
		</xs:keyref>
	</xs:element>
	<xs:element name="Instrument">
		<xs:annotation>
			<xs:documentation>A particular analytical instrument (as an instance, not as a type!)</xs:documentation>
		</xs:annotation>
		<xs:complexType>
			<xs:sequence>
				<xs:element name="name">
					<xs:annotation>
						<xs:documentation>The name used for the particular instrument</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="manufacturer" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The name of the instrument's manufacturer</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="model" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The model of the instrument</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="serial_number" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The serial number of the instrument</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="maintenence_history" minOccurs="0">
					<xs:annotation>
						<xs:documentation>A description of the maintenance history for the instrument</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element ref="ADM:comment" minOccurs="0"/>
			</xs:sequence>
			<xs:attribute name="ID" type="xs:ID" use="required"/>
		</xs:complexType>
		<xs:key name="InstrumentID">
			<xs:selector xpath="."/>
			<xs:field xpath="@ID"/>
		</xs:key>
	</xs:element>
	<xs:element name="ExperimentProtocol">
		<xs:annotation>
			<xs:documentation>Specification of an experimental setup used to perform a series of experiments</xs:documentation>
		</xs:annotation>
		<xs:complexType>
			<xs:annotation>
				<xs:documentation>Specification of an experimental setup used to perform a series of experiments</xs:documentation>
			</xs:annotation>
			<xs:sequence>
				<xs:element name="experiment_type" type="ADM:experiment_type"/>
				<xs:group ref="ADM:parameters"/>
				<xs:element ref="ADM:comment" minOccurs="0"/>
			</xs:sequence>
			<xs:attribute name="ID" type="xs:ID" use="required">
				<xs:annotation>
					<xs:documentation>An identifier for the experiment protocol.</xs:documentation>
				</xs:annotation>
			</xs:attribute>
			<xs:attribute name="method" type="xs:IDREF" use="required">
				<xs:annotation>
					<xs:documentation>A reference to a method upon which the protocol is based (e.g. metabolic footprinting, GCMS, GP, ...)</xs:documentation>
				</xs:annotation>
			</xs:attribute>
		</xs:complexType>
		<xs:key name="ExperimentProtocolID">
			<xs:selector xpath="."/>
			<xs:field xpath="@ID"/>
		</xs:key>
		<xs:keyref name="Method" refer="ADM:MethodID">
			<xs:selector xpath="."/>
			<xs:field xpath="@method"/>
		</xs:keyref>
	</xs:element>
	<xs:element name="Experiment">
		<xs:annotation>
			<xs:documentation>Specification of a single experiment</xs:documentation>
		</xs:annotation>
		<xs:complexType>
			<xs:annotation>
				<xs:documentation>Specification of an experiment.</xs:documentation>
			</xs:annotation>
			<xs:sequence>
				<xs:element name="name" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The name used to describe the particular experiment.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="start_date" type="xs:date">
					<xs:annotation>
						<xs:documentation>The date on which the experiment started.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="start_time" type="xs:time" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The time at which the experiment started.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="end_date" type="xs:date">
					<xs:annotation>
						<xs:documentation>The date on which the experiment ended.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="end_time" type="xs:time" minOccurs="0">
					<xs:annotation>
						<xs:documentation>The time at which the experiment ended.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element ref="ADM:comment" minOccurs="0"/>
			</xs:sequence>
			<xs:attribute name="ID" type="xs:ID" use="required">
				<xs:annotation>
					<xs:documentation>An identifier for the experiment.</xs:documentation>
				</xs:annotation>
			</xs:attribute>
		</xs:complexType>
		<xs:key name="ExperimentID">
			<xs:selector xpath="."/>
			<xs:field xpath="@ID"/>
		</xs:key>
	</xs:element>
	<xs:element name="ExperimentSet">
		<xs:annotation>
			<xs:documentation>A series of related experiments (of the same type, e.g. a series of growth experiments)</xs:documentation>
		</xs:annotation>
		<xs:complexType>
			<xs:annotation>
				<xs:documentation>A series of related experiments. There will be an ExperimentSet entity for each series of related experiments.</xs:documentation>
			</xs:annotation>
			<xs:sequence>
				<xs:element name="name" type="xs:string">
					<xs:annotation>
						<xs:documentation>The name used to describe the particular series of experiments.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="description" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>Description of the goals and methods used in the particular series of experiments.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element ref="ADM:Experiment" maxOccurs="unbounded"/>
				<xs:element name="InstrumentUsed" minOccurs="0" maxOccurs="unbounded">
					<xs:complexType>
						<xs:attribute name="instrument" type="xs:IDREF" use="required"/>
					</xs:complexType>
					<xs:keyref name="InstrumentUsed" refer="ADM:InstrumentID">
						<xs:selector xpath="."/>
						<xs:field xpath="@instrument"/>
					</xs:keyref>
				</xs:element>
			</xs:sequence>
			<xs:attribute name="ID" type="xs:ID" use="required">
				<xs:annotation>
					<xs:documentation>An identifier for the series of experiments</xs:documentation>
				</xs:annotation>
			</xs:attribute>
			<xs:attribute name="lab" use="required"/>
			<xs:attribute name="protocol" use="required"/>
			<xs:attribute name="conductor" use="required"/>
			<xs:attribute name="experiment_type" type="ADM:experiment_type" use="required"/>
		</xs:complexType>
		<xs:key name="ExperimentSetID">
			<xs:selector xpath="."/>
			<xs:field xpath="@ID"/>
		</xs:key>
		<xs:keyref name="Lab" refer="ADM:LabID">
			<xs:selector xpath="."/>
			<xs:field xpath="@lab"/>
		</xs:keyref>
		<xs:keyref name="Protocol" refer="ADM:ExperimentProtocolID">
			<xs:selector xpath="."/>
			<xs:field xpath="@protocol"/>
		</xs:keyref>
		<xs:keyref name="Conductor" refer="ADM:PersonID">
			<xs:selector xpath="."/>
			<xs:field xpath="@person"/>
		</xs:keyref>
	</xs:element>
	<xs:element name="ExperimentStudy">
		<xs:annotation>
			<xs:documentation>A set of experiments that links growth, sample preparation and analytical experiments into a set of wet experiments</xs:documentation>
		</xs:annotation>
		<xs:complexType>
			<xs:annotation>
				<xs:documentation>A series of related experiments. There will be an ExperimentSet entity for each series of related experiments.</xs:documentation>
			</xs:annotation>
			<xs:sequence>
				<xs:element name="name" type="xs:string">
					<xs:annotation>
						<xs:documentation>The name used to describe the particular series of experiments.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="description" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>Description of the goals and methods used in the particular series of experiments.</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element ref="ADM:comment"/>
			</xs:sequence>
			<xs:attribute name="ID" type="xs:ID" use="required">
				<xs:annotation>
					<xs:documentation>An identifier for the set of wet experiments</xs:documentation>
				</xs:annotation>
			</xs:attribute>
			<xs:attribute name="growth" type="xs:IDREF" use="required">
				<xs:annotation>
					<xs:documentation>A reference to a series of growth experiments</xs:documentation>
				</xs:annotation>
			</xs:attribute>
			<xs:attribute name="sample_preparation" type="xs:IDREF" use="required">
				<xs:annotation>
					<xs:documentation>A reference to a series of sample preparation experiments</xs:documentation>
				</xs:annotation>
			</xs:attribute>
			<xs:attribute name="analysis" type="xs:IDREF" use="required">
				<xs:annotation>
					<xs:documentation>A reference to a series of analytical experiments</xs:documentation>
				</xs:annotation>
			</xs:attribute>
		</xs:complexType>
		<xs:key name="ExperimentStudyID">
			<xs:selector xpath="."/>
			<xs:field xpath="@ID"/>
		</xs:key>
		<xs:keyref name="GrowthSeries" refer="ADM:ExperimentSetID">
			<xs:selector xpath="."/>
			<xs:field xpath="@growth"/>
		</xs:keyref>
		<xs:keyref name="SamplePreparationSeries" refer="ADM:ExperimentSetID">
			<xs:selector xpath="."/>
			<xs:field xpath="@sample_preparation"/>
		</xs:keyref>
		<xs:keyref name="AnalyticalExperimentSet" refer="ADM:ExperimentSetID">
			<xs:selector xpath="."/>
			<xs:field xpath="@analysis"/>
		</xs:keyref>
	</xs:element>
	<xs:element name="comment" type="xs:string">
		<xs:annotation>
			<xs:documentation>Additional comments.</xs:documentation>
		</xs:annotation>
	</xs:element>
	<xs:element name="address">
		<xs:complexType>
			<xs:sequence>
				<xs:element name="institution" type="xs:string">
					<xs:annotation>
						<xs:documentation>name of the institution, allowing department values</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="addressLine1" type="xs:string">
					<xs:annotation>
						<xs:documentation>level, building, street or PO Box</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="addressLine2" type="xs:string" minOccurs="0">
					<xs:annotation>
						<xs:documentation>street</xs:documentation>
					</xs:annotation>
				</xs:element>
				<xs:element name="city" type="xs:string"/>
				<xs:element name="postcode" minOccurs="0">
					<xs:simpleType>
						<xs:restriction base="xs:string">
							<xs:length value="7"/>
							<xs:pattern value="[A-Z]{2}\d\s\d[A-Z]{2}"/>
						</xs:restriction>
					</xs:simpleType>
				</xs:element>
			</xs:sequence>
		</xs:complexType>
	</xs:element>
	<xs:simpleType name="experiment_type">
		<xs:annotation>
			<xs:documentation>Type of the experiments in the set: G (growth), SP (sample prepara-tion), A (analysis) or DM (data mining).</xs:documentation>
		</xs:annotation>
		<xs:restriction base="xs:string">
			<xs:enumeration value="G">
				<xs:annotation>
					<xs:documentation>growth</xs:documentation>
				</xs:annotation>
			</xs:enumeration>
			<xs:enumeration value="SP">
				<xs:annotation>
					<xs:documentation>sample preparation</xs:documentation>
				</xs:annotation>
			</xs:enumeration>
			<xs:enumeration value="A">
				<xs:annotation>
					<xs:documentation>analysis</xs:documentation>
				</xs:annotation>
			</xs:enumeration>
			<xs:enumeration value="DM">
				<xs:annotation>
					<xs:documentation>data mining</xs:documentation>
				</xs:annotation>
			</xs:enumeration>
		</xs:restriction>
	</xs:simpleType>
	<xs:group name="parameters">
		<xs:choice>
			<xs:element ref="FTP:MetabolicFootprinting"/>
			<xs:element ref="DIMS:masslynxRun"/>
			<xs:element ref="RMN:ramanRun"/>
			<xs:element ref="GCMS:lecoRun"/>
			<xs:element ref="FTIR:equinox55Run"/>
		</xs:choice>
	</xs:group>
</xs:schema>
