<?xml version="1.0" encoding="UTF-8"?>
<AnIML xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:ds="http://www.w3.org/2000/09/xmldsig#" xsi:noNamespaceSchemaLocation="http://animl.sourceforge.net/schema/animl-core.xsd" version="1.0">

<!--from Velocity template file for construction of AnIML XML file from JCAMP-DX file -->
<!--Based on JCAMP-DX, using IR protocol 4.24 but updated for 5.01 with LONGDATE  -->
<!--AniML UV-Vis Technique Definition (http://animl.sf.net/schema/techniques/UV%20base%20instance%20document.atid) dated 2004/08/30 -->
<!--AniML IR Technique Definition (http://animl.sf.net/schema/techniques/IR%20base%20instance%20document.atid) dated 2004/09/01 -->
<!--AniML Sample Schema (http://animl.sf.net/schema/techniques/Sample%20Parameters%20base%20instance%20document.atid) dated 2004/09/01 -->
<!--AniML Core Schema (http://animl.sourceforge.net/schema/animl-core.xsd) dated 2004/04/20 -->
<!--JCAMP-DX v4.24 (http://www.jcamp.org/protocols/dxir01.pdf) accessed 02/19/06 -->
<!--JCAMP/AnIML crosswalk XL spreadsheet (http://animl.sourceforge.net/IUPAC/All%20JCAMP-DX%20and%20netCDF%20Labels%20version%2028%20August%202003.xls) 02/19/06 -->

<!--Stuart J. Chalk February 19, 2006 -->
<!--Robert J. Lancashire February 11, 2007 -->
<!--Version 0.3 -->

<!--Notes -->
<!--Originally used as an include file in jcamp2animl.php -->
<!--Originally written using a template AnIML file JCAMP_UV_Template.xml -->

<!-- SampleSet is defined in animl-core.xsd -->
    <SampleSet>
        <Sample sampleID="pclanilIR.aml" derived="false">
            <ParameterCategorySet>
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                        <Parameter name="Name">
                            <string>para-chloroaniline</string>
                        </Parameter>
			<Parameter name="Molecular Formula">
			    <string>C6H6ClN</string>
			</Parameter>
			<Parameter name="CAS Registry Number">
			     <string>106-47-8</string>
			</Parameter>
                        <ParameterCategory name="BP">
                            <Parameter name="Max">
                                <float32>232</float32>
                            </Parameter>
                            <Parameter name="Pressure">
                                <float32>101325.01</float32>
                                <Unit label="Pa">
                                    <SIUnit exponent="-1">m</SIUnit>
                                    <SIUnit exponent="1">kg</SIUnit>
                                    <SIUnit exponent="-2">s</SIUnit>
                                </Unit>
                            </Parameter>
                        </ParameterCategory>
                        <ParameterCategory name="MP">
                            <Parameter name="Max">
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                            </Parameter>
                            <Parameter name="AtPressure">
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                                <Unit label="Pa">
                                    <SIUnit exponent="-1">m</SIUnit>
                                    <SIUnit exponent="1">kg</SIUnit>
                                    <SIUnit exponent="-2">s</SIUnit>
                                </Unit>
                            </Parameter>
                        </ParameterCategory>
                    </ParameterSet>
                </ParameterCategory>
            </ParameterCategorySet>
        </Sample>
    </SampleSet>

    <!-- ExperimentStepSet is defined in animl-core.xsd -->
    <ExperimentStepSet>
        <ExperimentStep name="INFRARED SPECTRUM">
            <Author usertype="software">
                <Name>Chem. Dep't, UWI, JAMAICA</Name>
                <Location>public domain</Location>
            </Author>
	        <Timestamp>2000/06/08 14:33:00</Timestamp>
            <SamplesUsed>
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            <Technique name="IR" uri="http://animl.sf.net/schema/techniques/IR%20base%20instance%20document.atid"/>
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		                            </IndividualValueSet>
	                            <Unit label="Transmittance">
                                     <SIUnit exponent="1" factor="1">1</SIUnit>
                                   </Unit>
                        </Vector>
                        <Vector name="Wavelength" dependency="independent" vectorID="Wavelength_ID" plotUse="dimension" type="float32">
	                            <AutoIncrementedValueSet>
	                                <StartValue>
	                                    <float32>400.0368257</float32>
	                                </StartValue>
	                                <Increment>
	                                    <float32>1.9999806716666666</float32>
	                                </Increment>
	                            </AutoIncrementedValueSet>
	                            <Unit label="1/cm">
	                                <SIUnit factor="0.01" exponent="-1" offset="0">m</SIUnit>
                                    </Unit>
                        </Vector>
                    </VectorSet>
                    <ParameterCategorySet>
                        <ParameterCategory name="Measurement Description">
                            <ParameterSet>
                                <Parameter name="Identifier">
                                    <string>para-chloroaniline</string>
                                </Parameter>
                                <Parameter name="Sample Path length">
                                    <float32>-1</float32>
                                    <Unit label="cm">
                                        <SIUnit exponent="1" factor="0.01">m</SIUnit>
                                    </Unit>
                                </Parameter>
                                <Parameter name="ScanMode">
                                    <string>Spectrum</string>
                                </Parameter>
                            </ParameterSet>
                        </ParameterCategory>
                    </ParameterCategorySet>
                </Page>
            </PageSet>
            <ParameterCategorySet>
                <ParameterCategory name="Instrument Description">
                    <ParameterSet>
                        <Parameter name="Manufacturer">
                            <string>Perkin-Elmer</string>
                        </Parameter>
                        <Parameter name="Model Name">
                            <string>PERKIN-ELMER 1000 FT-IR</string>
                        </Parameter>
                        <Parameter name="Resolution">
                            <string>2.000000</string>
                        </Parameter>
                    </ParameterSet>
                </ParameterCategory>
            </ParameterCategorySet>
        </ExperimentStep>
    </ExperimentStepSet>

    <!-- AuditTrial is defined in animl-core.xsd -->
    <AuditTrail>
        <LogEntry>
            <Timestamp>2007/02/11 10:30:56.0362 -0500</Timestamp>
            <User type="software">
                <Name>AnIML exporter 1.0 JSpecView http://jspecview.sf.net</Name>
            </User>
            <Action>created</Action>
            <Reason>Conversion from JCAMP-DX file to: C:\Netbeans_proj\jspecview\dist\pclanilIR.aml</Reason>
            <Reference>There may be additional header items in the JCAMP-DX file that have not been converted to XML</Reference>
        </LogEntry>
    </AuditTrail>

    <!-- SignatureSet is defined in xmldsig-core-schema.xsd via animl-core.xsd -->
    <SignatureSet>
        <Signature>
            <SignedInfo xmlns="http://www.w3.org/2000/09/xmldsig#">
                <CanonicalizationMethod Algorithm=""/>
                <SignatureMethod Algorithm=""/>
                <Reference>
                    <DigestMethod Algorithm=""/>
                    <DigestValue/>
                </Reference>
            </SignedInfo>
            <SignatureValue xmlns="http://www.w3.org/2000/09/xmldsig#"/>
        </Signature>
    </SignatureSet>
</AnIML>

