XCMS说明书(英文版).pdf

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1、LastUpdate:21JUL2011XCMSOnlineUsageInstructionsOverviewXCMSOnlineisanewplatformwithanintuitivegraphicalinterfacewhichallowsuserstoeasilyuploadandprocessLC/MSdataforuntargetedmetabolomicsprofiling.XCMSOnlineprovidesacompletemetabolomicsworkflowincludingfeaturedetection,retention

2、timecorrection,alignment,annotationandstatisticalanalysis.Tofacilitatetheusage,predefinedparametersetsfordifferentinstrumentsetups(e.g.HPLC/QTOF,UPLC/QTOF,HPLC/Orbitrap)canbeselected.Customizedsettingscanbecreatedfromthesetemplates.Resultscanbebrowsedonlineinaninteractive,custo

3、mizabletablethatshowsfeaturestatistics,EICs,boxplots,andputativeMETLINID’sforeachmetabolite.Allresultsincludingtheimagescanalsobedownloadedaszipfileforofflineanalysis.Youwillneedauseraccounttousethesystemhoweveruseraccountsarefreeandonlyrequireavalide-mailaddresstoregister.Topr

4、ocessdatasetsthroughtheXCMSOnlinesystemyouwillneedtocreateajobwhichinvolvesuploadingthedatasets,definingparametersandsubmittingthejob.Youwillbenotifiedofyourjobstatus,includingerrors/warningsthatyoucancorrectpriortoresubmittingajob.Afterprocessingiscomplete,youwillbenotifiedvia

5、e-mailthatyourresultsarereadyforreview.QuickStart1.CreateUserAccount–Youwillinitiallyneedtoregisteryoure-mailaccounttobeabletousethesystem.Afteryouregisteryouwillreceiveane-mailattheaccountyouenteredwithvalidationinstructions.Uponvalidationyouwillhaveaccesstothesystem.Youmaythe

6、nloginusingtheusernameandpasswordcombinationyouusedtoregister.Figure1–Createuseraccountfromhomepagebyclickingonthe“Register”button2.CreateJob–Asafirst-timeuser,youwillwanttobeginbycreatinganewjob.Clickon“CreateJob”inthetopnavigationmenu(Figure2)Figure2–CreateNewJobbyclickingon“

7、CreateJob”inthetopnavigationmenu3.UploadingtheDatasets-Thecreatejobpagewillopenandyouwillbeabletostartdefiningthejob(seeFigure3).Thereisastepnavigationwizarddirectlybelowthetopnavigationbarthatwillserveasaguide.Uponinitialload,adefaultjobnamewillbecreatedbasedonyourusernameandt

8、hecurrentdate.Youmayclickthejobnametoedit.UploadDatase