[BioC] KEGGSOAP questions: how to handle multiple annotations in R data frames, and why does a

[Nianhua Li]

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"