Isotope_Cluster_Tagging_Filtering

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1、IsotopeClusterTagging/FilteringinSIEVEathanas@vastscientific.com101019DataReduction•SIEVEcreatesframesfor*everything*–Designgoal:fullytransparent•Typically,onlymonoisotopicpeakisofinterest–ignoreeverythingelse(includingnoise)•Note:SIEVEdoesnotperformisotopeclustercollapesIsotopeClusterNomenclatu

2、reinSIEVE•PRElementistheclusterelement:–PRElement=0C12monoisotopicpeak–PRElement=1C13peak•PRRootistheframecorrespondingtothePRElement=0ofthecluster•PRSizeisthesizeofthecluster•ChargeisdeterminedfromtheclusterSIEVEPatternRecognition(PR)•NewalgorithmfindspatternsinframesMZ/RT•Isotopeclustersare3

3、ormorepeaksdistributedinm/zconsistentwithagivencharge–confinedtoatightretentiontimewindow.FramesFilterFilteroutframesbaseduponcriteriafromanycolumnintheframestableExample:onlyshowframeswithMZlessthan400:mz<400Onlyframeswithmz<400areshowninallviewsinSIEVEincludingProteinReport,ChemSpiderReport,MZ

4、LookupMonoisotopicPeakFilterShowonlyframescorrespondingtotheC12monoisotopicpeakprelement=090of2000framesareshownSIEVEFramesandClustersIsotopeclusterwithPRRoot=110withPRSize=4andCharge=3Summary•FramesFilterisapowerfultooltoeasilyreducethedatasetbaseduponframeattributes•SIEVEPatternRecognitionfind

5、sisotopeclustersandtagsthemforeasyfiltering