protP <- c(protP="PEPTIDE")
obsMassX <- cbind(a=c(199.1077, 296.1605, 397.2082, 510.2922,625.3192),
b=c(227.1026, 324.1554, 425.2031, 538.2871, 653.3141),
x=c(729.2937, 600.2511, 503.1984, 402.1507, 289.0666),
y=c(703.3145, 574.2719, 477.2191, 376.1714, 263.0874))
rownames(obsMassX) <- c("E","P","T","I","D") # all 1 & 7 ions not included
identP1 <- identifFixedModif(prot=protP,expMass=as.numeric(obsMassX), minFragSize=2,
maxFragSize=7, modTy=list(basMod=c("b","y"))) #
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