AMDIS操作说明资料

AMDIS—USERGUIDE

PeterD'ArcyandW.GaryMallard

Automated

MassSpectral

Deconvolution&

Identification

System

U.S.DepartmentofCommerce

TechnologyAdministration

NationalInstituteofStandardsandTechnology(NIST)

StandardReferenceDataProgram

Gaithersburg,MD20899

TheNationalInstituteofStandardsandTechnology(NIST)usesitsbesteffortstodeliverahighqualitycopyof

thedatabaseandtheassociatedsoftwareandtoverifythatthedatacontainedthereinhavebeenselectedon

thebasisofsoundscientificjudgmentandthatthesoftwareisfunctioningcorrectly.However,NISTmakesno

warrantiestothateffectandNISTshallnotbeliableforanydamagethatmayresultfromerrorsoromissionsin

thedatabaseoritsassociatedsoftware.

Copyright1977,1978,1980,1982,1987,1988,1990,1992,1997,2000,2004copyrightbytheU.S.Secretaryof

CommerceonbehalfoftheUnitedStatesofAmerica.Allrightsreserved.Nopartofthisdatabasemaybe

reproduced,storedinaretrievalsystem,ortransmitted,inanyformorbyanymeans,electronic,mechanical,

photocopying,recording,orotherwise,withoutthepriorwrittenpermissionoftheStandardReferenceData

ProgramatNIST.

TableofContents

AMDIS—USERGUIDEi

1Introduction1

1.1TheAMDISProgram1

1.2HowtoUseThisUserGuide1

1.3ConventionsUsedinThisUserGuide2

1.4AnOverviewofAutomatedGC/MSIdentificationbySteveStein2

1.4.1Background2

1.4.2PreviousWork3

1.4.3Method3

1.4,4References3

2GettingStarted5

2.1Introduction5

2.2SimultaneouslyViewingAMDISanditsHelpWindow5

2.3GettingAMDISintoaKnownState5

2.4ConfirmWindowandResultsWindowOverview6

2.5ConfirmWindowAppearance6

2.5.1ChromatogramDisplay9

2.5.2ProfileDisplay9

2.5.3InformationLists10

2.5.4MassSpectralDisplay10

2.5.5ChangingtheDisplayRange11

2.6ResultsWindowAppearance11

2.6.1ControlPanel12

2.6.2InformationLists12

2.6.3InformationTabs13

2.7AnalysisModesOverview13

2.8AnalysisMode-Simple13

2.8.1SearchingtheNISTDatabase17

2.9AnalysisMode-RICalibration/Performance17

2.10AnalysisMode-UseRICalibrationData21

2.11AnalysisMode-UseInternalStandards25

2.12AnalysisMode-UseRICalibr.Data+InternalStd28

2.13AnalysisMode-PerformanceCheck31

2.14Recap35

3AMDISConfirmWindow36

3.1Introduction36

3.2MenuBar37

3.2.1FileMenu38

Pageii

3.2.2AnalyzeMenu45

3.2.3ModeMenu54

3.2.4ViewMenu55

3.2.5LibraryMenu58

3.2.6OptionsMenu59

3.2.7WindowMenu63

3.2.8HelpMenu64

3.3ButtonBar64

3.3.1Run64

3.3.2Rescale64

3.3.3Info65

3.3.4Arrowheads65

3.3.5Manual-OnandManual-Off65

3.3.6Deconv65

3.4DataDisplays65

3.4.1ChromatogramDisplay66

3.4.2ProfileDisplay72

3.4.3InformationLists74

3.4.4MassSpectralDisplay81

3.5DisplayofMultipleChromatograms88

3.5.1MultipleChromatogramsinIndependentWindows88

3.5.2TwoChromatogramsinOneWindow88

4AMDISResultsWindow90

4.1Introduction90

4.2ControlPanel91

4.2.1Analyze92

4.2.2Help92

4.2.3Done92

4.2.4Confirm92

4.2.5Print93

4.2.6LoadResults93

4.3InformationLists93

4.4InformationTabs94

5AuxiliaryInformation95

5.1Introduction95

5.2LibraryTab96

5.3SpectraTab96

5.4SettingsTab97

5.5StandardsTab97

5.5.1ExternalStandardMode97

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5.5.2InternalStandardMode98

5.6QA/QCTab98

5.6.1Results98

5.6.2Performance100

5.7S/NTab101

5.7.1Signal101

5.7.2Noise101

5.8OptionsTab102

6Analysis103

6.1Introduction103

6.2AnalysisTypes103

6.2.1Simple104

6.2.2RICalibration/Performance105

6.2.3UseRICalibrationData105

6.2.4UseInternalStandards107

6.2.5UseRICalibr.Data+InternalStandards108

6.2.6PerformanceCheck109

6,3LibraryTypes110

6.4AnalysisSettings111

6.4.1Identif.(Identification)Tab)111

6.4.2InstrumentTab113

6.4.3Deconv.(Deconvolution)Tab114

6.4.4Libraries115

6.4.5QualityControl(QA/QCTab)115

6.4.6ANoteonRICalibration/PerformanceAnalysis116

7PostAnalysisClassificationofSpectra117

7.1Postprocess117

7.2StructuralClassifiers117

7.3CWClassifier(ChemicalWeaponsRelatedClassifiers)117

7.4SpectralSimilarity117

7.5CompareDataFiles117

7.6VarmuzaClassificationReferences118

8LibraryDevelopmentandMaintenance119

8.1IntroductiontoLibraries119

8.2LibraryTypes119

8.3LibraryEditors120

8.3.1BuildOneLibrary120

8.3.2LibraryTransfer120

8.4LibraryWindowFunctions121

8.4.1LibraryInformationandDisplayOptions121

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8.4.2EditingOptions121

8.4.3OtherOptions121

8.5CompoundandSpectraEditors122

8.5.1CompoundInformationEditor122

8.5.2SpectrumEditor123

8.6SettingupCalibrationFilesforUsewithAMDIS124

8.6,1CreateCalibrationLibraryfromaDataFile124

8.6.2CreateLibraryfromNISTMSDatabase125

8.7UsingthePerformanceLogFeature125

8.8ViewingtheLibraryorCalibration126

8.9FormatofMassSpectralTransfer(MSP)Files126

9BatchJobs128

9.1CreateandRunJob128

9.2ShowResultsofLastJob128

10ManualDeconvolution129

10.1OverviewofManualDeconvolution129

10.2BackgroundSubtraction129

10.3ManualDeconvolution130

11HowDoI...?131

11.1SystemSetup131

11.1.1HowDoIChangetheSettingsforAnAnalysis?131

11.1.2HowDoIFindOutWhatSettingsWereUsedfortheCurrentAnalysis?131

11.2DataAnalysis131

11.2.1AnalysisWithoutRetentionIndexData(SimpleAnalysis)131

11.2.2AnalysisWithRetentionIndexData131

11.2.3HowDoIExamineanOldAnalysis?131

11.2.4HowDoIUseDataforCalibrationandPerformanceMonitoring131

11.2.5HowDoISearchtheNISTDatabasewithaComponent?132

11.3LibraryMaintenance132

11.3.1HowDoIAddSpectratoaLibrary?132

,11.3.2HowDoIDeleteSpectraFromaLibrary?132

11.3.3HowDoIEditSpectraorCompoundInformationinaLibrary?132

11.4DisplayModification132

11.4.1HowDoIExpand(Zoom)aPlot?132

11.4.2HowDoISwitchBetweenLogandLinearAxis?132

11.4.3HowDoIChangeColorsandWeightofLines?133

11.4.4HowDoIFindtheExactPositionofaPeak?133

11.4.5HowDoIShowComponentsonaPlot?133

11.4.6HowDoIChangetheDatathatisShownorPrintedAboutaComponent?133

12VarmuzaCompoundClassificationAnalysis134

Pagev

13Glossary144

14FileFormats145

14.1CALFile145

14.2ReportFile145

15Contacts146

15.1Technical146

15.2Business146

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1Introduction

1.1TheAMDISProgram

TheAutomaticMassSpectralDeconvolutionandIdentificationSystem(AMDIS)allowsyoutoautomatically

findanyofasetoftargetcompoundsinagaschromatography/massspectral(GC/MS)datafile.Theprogram

firstdeconvolutestheGC/MSdatafiletofindalloftheseparatecomponents.Eachofthesecomponentsisthen

comparedagainstalibraryoftargetcompounds.Thematchfactorbetweenthetargetspectrumandthe

deconvolutedcomponentspectrumisthenreported,ifitisaboveausersetvalue.

AMDISusesalibraryofmassspectrawithorwithoutretentionindicestoidentifycompoundsinthedatafile.The

programcanbeconfiguredtobuildaretentionindexcalibrationfile,tousetheretentionindexdataalongwith

themassspectraldataortoworkwithoutreferencetoanyretentionindexdata.Inaddition,AMDIScanbeused

tobuildauserdefinedlibrary,eitherfromGC/MSdatafiles,orfromthedataintheNISTMassSpectral

Database.

Theprogramwilloptionallytracktheresultsofroutineperformancemixtureruns(suchastheGrobtestmixture).

Dataisretainedfrompreviousrunssothatchangesintheperformanceofthesystemcanbemonitored.

AMDISalsoprovidescompoundclassidentification,abatchprocessingcapabilityandaconvenientlinktothe

NISTMassSpectralDatabase.

1.2HowtoUseThisUserGuide

Youshouldreadthissectionandthefollowingsection;whichdescribesthetypographicandrelated

conventionsusedinthismanual(1.3ConventionsUsedinThisUserGuide)

Itisuseful,althoughnotessential,tounderstandalittleofthebackgroundandmethodologyofAMDISandthat

canbefoundin1.4AnOverviewofAutomatedGC/MSIdentificationbySteveStein

Chapter2GettingStartedisessentialreading.Itfirstintroducesyoutothebasicvisualsandafewessentia

IfeaturesofthetwodifferentuserinterfacesthatAMDISoffers.

Therestofthechapteristhenwrittenintutorialstyleandleadsyouone-by-onethroughallofthe“analysis

modesMthatAMDISsupports.Manyusefultopicsareintroducedwhilstdoingthisandtherearemanyreferences

totheircorrespondingdetailedsectionsforthosereaderswhowanttoimmediatelylearnalittlemoreabouta

specifictopic.

Evenifyoudon*tnormallyreadmanuals,the30minutesorsorequiredtogothroughthischapterwill

dramaticallyimproveyourabilitytoquicklystartproductiveworkwithAMDIS.

ItisveryhighlyrecommendedthatyoureadChapter2.

Thechaptersthatfollowthetutorialsarewritteninthestyleofatechnicalreferenceandaretopic-based,rather

thantutorial-based.TheyprovidefulldetailsofallAMDISparametersandfunctionality.

Chapter11isalistoffrequentlyaskedquestions(FAQs).Aswellasgivinganswerstoquestions,someuseful

tipsarealsointroduced.Itmaybeworthyourwhiletoreadthroughthesebeforefinallystartingproductivework

withAMDIS.

Chapter12liststheVarmuzaclassifiers,whoseuseisdescribedin7.2StructuralClassifiers

AlmosteverywhereinAMDIStherightmousebuttonw川bringup“options”(alistofoneormorecommands).

Theseoptionswillvaryasyoumovearoundthescreen(theyare“context-sensitive").Inaddition,theoptions

presentedcanchangeasyouprogressthroughananalysis.

Note:Anoptionthatisugrayedout”(disabled)earlyoninananalysismaybeavailablelater.

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1.3ConventionsUsedinThisUserGuide

Commandsthatcanbeselectedfrommenusareinbold.Forexample:ontheViewmenuclickUndock.Sub­

menucommandsmayalsobeidentifiedfromahigherlevelmenubyspecifyingthetwoormoremenuitems

separatedby|.Forexample:clickView|Undock;clickView|ShowMousePosition|OnTop.

Buttonandtabnamesarealsoinbold.Forexample:ToexitfromthedialogclickClose;theStandardstab

givesinformationaboutthestandardsused.

Occasionallyunderlinewillbeusedtohighlightimportantinformation.

Windowanddialognames,pluscertainspecificnamedareasofthedisplay,aregiveninitalics.Forexample:

NotetheinformationpresentedintheResultswindow;theAnalysisSettingsdialoghas5tabs;theInformation

Listsareacanbeundockedandmoved.

Referencestothenames(butnottheselection)ofmodesofanalysiswillappearinitalics.Forexample:A

Simpleanalysisdoesnotinvolvetheuseofinternalstandards,buttheUseRICalibr.Data+InternalStd.mode

does.

Referencestosectionsinthismanualarepresentedinnormalfontasasectionnumber,followedbythetitle.For

example:Theconventionsusedinthisuserguidearedescribedin1.3ConventionsUsedinThisUserGuide

.Occasionallyasectionreferencemayjustuseitssectionnumber;especiallyifitisbeingrepeatedclosetoits

firstdefinition.

Referencestocomputerfiles,folders,documentsormanualsaregiveninitalics.Forexample:Refertothe

README.TXTfile;Readchapter1ofMicrosoft'sIntroductiontoWindowsX尸book.

Namesofcheckboxes,radiobuttonsandotherparameters,valuestobeselectedfromalist,specificvaluesor

textshownonthedisplay,texttobeenteredbytypingandwarningmessagesarewritteninboldTimesNew

Romanfont.Forexample:ForTypeofanalysis,clickUseInternalStandards；AfterprocessingTotalSignalshows

avalueof1.80e+0()8;ForFilenametypeNISTEPAoranothernameofyourchoice;Aninvalidfileproducesthe

CannotreadGC/MSdatafilewarningmessage.

Sometimesduringthetutorialsections,itisnecessarytorefertothefolderinwhichAMDISisinstalled.Sincethe

defaultfoldernameisAMDIS32,thiswillbeused,but,ifyouhaveAMDISinstalledinadifferentfolder,please

substitutethatnamewheneveryouseeAMDIS32mentioned.

1.4AnOverviewofAutomatedGC/MSIdentificationbySteveStein

1.4.1Background

Gaschromatography/massspectrometry,GC/MS,haslongbeenthemethodofchoiceforidentifyingvolatile

compoundsincomplexmixtures.Thismethodcanfail,however,whenacquiredspectraare“contaminated”with

extraneousmassspectralpeaks,ascommonlyarisefromco-elutingcompoundsandionizationchamber

contaminants.Theseextraneouspeakscanposeaseriousproblemforautomatedidentificationmethodswhere

theycancauseidentificationstobemissedbyreducingthespectrumcomparisonfactorbelowsomepre-set

identificationthreshold.Inaddition,thepresenceofspuriouspeaksinaspectrumaddstotheriskofmaking

falseidentifications.Perhapsworstofall,theaddeduncertaintyleadstoagenerallossofconfidenceinthe

reliabilityofmakingidentificationsbyGC/MS,especiallyfortracecomponentsincomplexmixtures,akey

applicationareaforthistechnique.

Themostcommonmethodforextracting“pure”spectraforachromatographiccomponentfromacquiredspectra

istosubtractspectrainaselected"background"regionofthechromatogramfromspectraatthecomponent

maximum.This,however,isonlyappropriatewhenbackgroundsignallevelsarerelativelyconstant(ionization

chambercontamination,forexample).Moreover,highlycomplexchromatogramsmayhavenoidentifiable

"background"region.

Anautomatedapproachfordealingwithcontaminatedspectraistoassumethatacquiredmassspectralpeaks

thatdonotmatchareferencespectrumoriginatefromimpurities.Whilethismethodcanidentifytrace

componentsembeddedincomplexbackgroundspectra,itcanalsoproducefalsepositiveidentificationsfor

targetcompoundshavingsimplespectra(i.e.,whentargetcompoundshavespectrawhichare,ineffect,

embeddedinthespectraofothercompoundsintheanalyzedmixture).

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AMDISisanintegratedsetofproceduresforfirstextractingpurecomponentspectraandrelatedinformation

fromcomplexchromatogramsandthenusingthisinformationtodeterminewhetherthecomponentcanbe

identifiedasoneofthecompoundsrepresentedinareferencelibrary.Thepracticalgoalistoreducetheeffort

involvedinidentifyingcompoundsbyGC/MSwhilemaintainingthehighlevelofreliabilityassociatedwith

traditionalanalysis.

1.4.2PreviousWork

SincetheinceptionofGC/MS,therehasbeenacontinuinginterestinextracting“pure”componentspectrafrom

complexchromatograms.BillerandBiemann[1]devisedasimplemethodinwhichtheextractedspectrumis

composedofallmassspectralpeaksthatmaximizesimultaneously.Colby[2]improvedtheresolutionofthis

methodbycomputingmorepreciseionmaximizationtimes.Herron,DonnellyandSovocol[3]demonstratedthe

utilityofColby'smethodintheanalysisofenvironmentalsamples.

Anothercomputationallyfacileapproachforextractingspectrabasedonsubtractionofadjacentscans

("backfolding")hasbeenrecentlyproposed[4].Anadvantageofthisapproachisthatitdoesnotexplicitlyrequire

maximization.

AmorecomputationallyintensiveapproachdevelopedbyDromeyetal[5],calledtheumodelpeak"method,

extractsionprofilesthathavesimilarshapes.AsintheBiller/Biemannprocedure,thismethodusesmaximain

ionchromatogramstodetectchromatographiccomponents.Theshapeofthemostprominentofthese

maximizingionchromatogramsisusedtorepresenttheshapeoftheactualchromatographiccomponent.Ion

chromatogramswiththisshapeareextractedbyasimpleleast-squaresprocedure.Thismethodwas

successfullyusedfortargetcompoundidentificationinalarge-scaleEPAstudy[6].Rosenthal[7]proposedan

improvementtothepeakperceptionlogicforthismethod.

Anumberofmatrix-basedapproacheshavebeenproposedthatmakenoassumptionsconcerningcomponent

peakshape.Thesemethodsgenerallyprocessanabundancedatamatrixconsistingofm/z,elutiontimepairs.

Setsofionswhoseabundancesarecorrelatedwitheachanotherareextracted.Whilediverseapproacheshave

beendescribed,toourknowledgenoneofthemhavebeenfullyimplementedandtestedforgeneral-purpose

use.

1.4.3Method

ThemodelpeakmethodofDromeyetal.[5]wasselectedasthebasisforspectrumextractionbothbecauseit

hasbeenshowntoproducereliableresultsinlarge-scaletestsandbecauseitfollowedanapproachsimilarto

thatofananalyst.However,itsabilitytoextractweaksignalswasfoundtobepoor.Theoriginofthisproblem

wasitsinabilitytoestablishthresholdstoenableittodistinguishsignalfromnoise.Thisproblemwassolvedin

thepresentworkbyprocessingionabundancesinsignal-to-noiseunitsratherthanasabsoluteabundances.

Thispermittedtherationalsettingofthethresholdsthroughoutthespectrumextractionprocess.Chemical

identificationwasbasedonanoptimizedspectrumcomparisonfunctiondescribedearlier[8],andextendedto

incorporateotherinformationderivedfromGC/MSdata.Analysisoftestresultsledtothedevelopmentoffurther

refinementsinthespectrumcomparisonprocess.Theoverallprocessinvolvesfoursequentialsteps:1)noise

analysis,2)componentperception,3)spectralUdeconvolutionn,4)compoundidentification.

1.4.4References

[1]"ReconstructedMassSpectra,ANovelApproachfortheUtilizationofGasChromatograph—Mass

SpectrometerData"，Biller,J.E.;Biemann,K.Anal.Lett.19747515-528.

[2]"SpectralDeconvolutionforOverlappingGC/MSComponents*1Colby,B.N.J.Amer.Soc.MassSpectrom.

19923558-562.

[3]“Software-BasedMassSpectralEnhancementtoRemoveInterferencesfromSpectraofUnknowns"，Herron,

N.R.;Donnelly,J.R.;Sovocool,G.W.J.Amer.Soc.MassSpectrom.19967598-604.

[4]“AutomatedExtractionofPureMassSpectrafromGasChromatographic/MassSpectrometricData"，Pool,

W.G.;Leeuw,J.W.;vandeGraaf,B.J.MassSpectrom.199732438-443.

[5]"ExtractionofMassSpectraFreeofBackgroundandNeighboringComponentContributionsfromGas

Chromatography/MassSpectrometryData”Dromey,R.G;Stefik,M.J.;Rindfleisch,T.C;Duffield,A.M.Anal.

Chem.197648(9)1368-1375.

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[6]"AnEvaluationofAutomatedSpectrumMatchingforSurveyIdentificationofWastewaterComponentsbyGas

Chromatography-MassSpectrometry”Shackelford,W.M.;Cline,D.M.;Faas,L;Kurth,G.AnalyticaChim.Acta

198314625-27.

[7]"ImprovementofAlgorithmforPeakDetectioninAutomaticGasChromatography-MassSpectrometryData

Processing”Hargrove,W.F.;Rosenthal,D.;Cooley,P.C.Anal.Chern.198153538-539.

[8]"OptimizationandTestingofMassSpectralLibrarySearchAlgorithmsforCompoundIdentification"Stein,

S.E.;Scott,D.R.J.Amer.Soc.MassSpectrom.19945859-866.

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2GettingStarted

2.1Introduction

Thischapteriswrittenin“tutorialstyle“anditisveryhiqhlvrecommendedthatyoureaditandfollowthroughthe

workedexamples.Thewholeprocessshouldtakeabout30minutesandwillprovideyouwithanexcellent

appreciationofthecapabilitiesofAMDIS.

Thischapterstartsoffwithageneralintroductionto,andbriefdescriptionof,thetwobasicwindowmodesof

AMDISandisfollowedbyashortintroductiontothevariousanalysismodesthatAMDISsupports.

ThetwowindowsaretheConfirmwindowandtheResultswindow.Youaregivenjustenoughinformationabout

thesetogetthemostbenefitfromthetutorialsectionsthatfollowforeachanalysismode.

Eachtutorialdescribesanypre-requisites,theoperationalflowandsomepost-analysisoptionsfortheparticular

analysismode.EachsectionutilizesdemodatafilesandwillmainlyusedefaultAMDISparameters.

Throughoutthesections,theopportunityisoccasionallytakentobrieflyintroducearelatedtopic.

Althougheachtutorialsectionisself-contained,itisrecommendedtoinitiallygothroughtheminorderastheydo

toacertainextentleadonfromonetotheother.Iflateryouwanttosimplyrefreshyourmemoryononesection,

gotoitdirectly.

2.2SimultaneouslyViewingAMDISanditsHelpWindow

IfatanytimeyouwishtosimultaneouslyviewAMDISanditshelpwindow,dothefollowing:

1)ActivatethehelpwindowusingtheHelp|Contentsmenucommand.

2)EnsurethatAMDISanditshelpwindowarenotminimized.

3)Ensurethatallotherwindowsareminimized.

WindowsXP

4)Right-clickinany'unused'areaintheWindowstaskbartobringupitsmenuandclickTileWindows

Vertically.Thetaskbarisusuallyatthebottomofthescreenandhasthestartbuttonattheleft.

Toexitfromthismode,dothefollowing:

5)Right-clickinany'unused'areaintheWindowstaskbarandclickUndoTile.

2.3GettingAMDISintoaKnownState

Toensurethattheworkedexamplesdescribedinthischaptercanbesmoothlyfollowed,itisessentialthat

AMDISisinaknownstate(thesameaswhenithasjustbeeninstalled).Toestablishthisknownstate,please

dothefollowing:

1)UsingstandardWindowsfunctionality,locatefileonsite.iniintheAMDIS32folder.

2)Deletetheonsite.inifile.

AtthispointalloftheAMDISparametersaresetatdefaultvalues,butunlessAMDIShasneverbeenused

beforeitispossiblethatsomeofthetutorials*datafilesalreadyhaveresultfilesinexistence.Thisisnota

problembecausethetutorialswillrecreateresultfiles.However,theremaybesmalldiscrepanciesbetweenwhat

thetutorialdescribesastheinitialstateofthedisplayandwhatyouactuallyobserve.Ifyouwanttoavoidthis,

proceedasfollows:

3)Whenyouaretoldtoopenafileandresultsareimmediatelydisplay,clickFile|Openandselectanyfile.

ClickOpen.TheDeleteResultFilesdialogappears(Figure1-DeleteResultsFiledialog).

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DeleteResultFilesforCARD5P.D区I

AMDISgeneratestwofilescontaining

resultsforeachanalysisofaGC/MSdata

file.

Wouldyouliketodeletethesefilesnow?Options...I

(SelectKeep'ifyouaresearchingNIST

Library!)Delete

Keep

Figure1-DeleteResultsFiledialog

4)ClickDeleteandthenewlyselectedfileopens.

5)ClickFile|Openandselectthefileyouoriginallyopenedaccordingtothetutorial'sinstructions.

Youarenowinthecorrectstateforthetutorial.

2.4ConfirmWindowandResultsWindowOverview

AMDISofferstwosignificantuserinterfaces(windows)foryoutoworkwith.

TheConfirmwindowisafull-functionalitywindow,offeringamenubarandoneormoreincluded“child”windows

(forexample,Figure4-Confirmwindowshowingthegraphicalresultsofananalysisforatarget).Each

childwindowhasabuttonbar,severalgraphicalsectionsandatextsection.Themenubarprovidesaccessto

thefullfunctionalityofAMDISandthegraphicalsectionspermitinteractivemanipulationsanddetailedanalysis

oftheresultsofAMDISprocessing.

TheConfirmwindowisfullydescribedinchapter3AMDISConfirmWindowandwillbethewindowofchoic

eformostusers.

TheResultswindowoffersamorelimitedsetoffunctionalitythantheConfirmwindowandinparticulardoesnot

displaygraphics,norpermitlibrarymanipulations.Itcanbeusefulwhenitissufficienttosimplyreviewthe

resultsofAMDISprocessing(forexample,Figure5-Resultswindowshowsonlythenon-graphicalresults

ofananalysis).

TheResultswindowisfullydescribedinchapter4AMDISResultsWindow

Note:Itisstraightforwardtoswapbetweenthesetwowindows:

IntheConfirmwindow,clickFile|GotoResultstogototheResultswindow.

IntheResultswindow,clickConfirmtogototheConfirmwindow.

Note:AMDISwillalwaysstartupintheConfirmwindow,irrespectiveoftheprevailingwindowselection

whenitwaslastcloseddown.

2.5ConfirmWindowAppearance

TheConfirmwindowhastwobasicappearancesaccordingtowhetherornotitisshowingtheresultsofan

analysis.

Note:Whenresultsarebeingshown,thecontentsoftheConfirmwindowarealsoregulatedusingthe

Modecommand(see3.2.3ModeMenu)

Whenanewdatafileisopenedthatdoesnothavepreviouslykeptresults,thewindowhastwoareas(Figure2-

Confirmwindowshowingunprocesseddata).

Thetwoareasare:

-ChromatogramDisplay

-MassSpectralDisplay

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AMDIS-Chromatogram-ManualMode-CARD5P.