KEGGSOAP questions: how to handle multiple annotations in R data frames, and why does a
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Nianhua Li ▴ 870
@nianhua-li-1606
Last seen 8.1 years ago
Hi, Alan, I just had a quick look of your email. Not sure whether the following script is helpful or not: ## your code cpdID<-c(1,2,3,4,5,6) mass<-c(129.0426, 147.0532, 208.0848, 220.0848, 204.0899, 777.0317) RT<-c(1,2,3,4,5,6) ppmerror<-c(4,11,75,7,21,55) floatmass=NULL for (i in 1:length(cpdID)) { floatmass[i]<-if(ppmerror[i]<10) {1e-5*mass[i]} else{(ppmerror[i]/10^6)*mass[i]} } ## something else res <- mapply(search.compounds.by.mass, mass, floatmass) final_res <- cbind(cpdID, mass, floatmass, res) sessionInfo() ... KEGGSOAP SSOAP RCurl XML "1.9.1" "0.4-1" "0.8-0" "1.2-0"
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