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1、LastUpdate:21JUL2011XCMSOnlineUsageInstructionsOverviewXCMSOnlineisanewplatformwithanintuitivegraphicalinterfacewhichallowsuserstoeasilyuploadandprocessLC/MSdataforuntargetedmetabolomicsprofiling.XCMSOnlineprovidesacompletemetabolomicsworkflowincludingfeaturedetection,retentiontimecorrect
2、ion,alignment,annotationandstatisticalanalysis.Tofacilitatetheusage,predefinedparametersetsfordifferentinstrumentsetups(e.g.HPLC/QTOF,UPLC/QTOF,HPLC/Orbitrap)canbeselected.Customizedsettingscanbecreatedfromthesetemplates.Resultscanbebrowsedonlineinaninteractive,customizabletablethatshowsf
3、eaturestatistics,EICs,boxplots,andputativeMETLINID’sforeachmetabolite.Allresultsincludingtheimagescanalsobedownloadedaszipfileforofflineanalysis.Youwillneedauseraccounttousethesystemhoweveruseraccountsarefreeandonlyrequireavalide-mailaddresstoregister.ToprocessdatasetsthroughtheXCMSOnline
4、systemyouwillneedtocreateajobwhichinvolvesuploadingthedatasets,definingparametersandsubmittingthejob.Youwillbenotifiedofyourjobstatus,includingerrors/warningsthatyoucancorrectpriortoresubmittingajob.Afterprocessingiscomplete,youwillbenotifiedviae-mailthatyourresultsarereadyforreview.Allsc
5、reenshotstakenfromv.1.08Beta(actualscreenswillbesimilarhoweverdesignmodificationsmaybemadeinsubsequentversions).Page1QuickStart1.CreateUserAccount–Youwillinitiallyneedtoregisteryoure-mailaccounttobeabletousethesystem.Afteryouregisteryouwillreceiveane-mailattheaccountyouenteredwithvalidati
6、oninstructions.Uponvalidationyouwillhaveaccesstothesystem.Youmaythenloginusingtheusernameandpasswordcombinationyouusedtoregister.Figure1–Createuseraccountfromhomepagebyclickingonthe“Register”buttonAllscreenshotstakenfromv.1.08Beta(actualscreenswillbesimilarhoweverdesignmodificationsmaybem
7、adeinsubsequentversions).Page22.CreateJob–Asafirst-timeuser,youwillwanttobeginbycreatinganewjob.Clickon“CreateJob”inthetopnavigationmenu(Figure2)Figure2–CreateNewJobbyclickingon“CreateJob”inthetopnavigationmenuAllscreenshotstakenfromv.1.08Beta(actualscreenswillbesim
