FTICR to KEGG: organic

Load R packages

# Clean workspace
rm(list=ls())

library(ftmsRanalysis)
library(KEGGdata)

Import Summarized Peaks

uniqueness_nsamps was the method applied to the organicUnique.Robj, which is an R object.

load(file="organicUnique.Robj")

Processing

# str(organic_unique)
# Peaks breakdown by group
groupSummary <- organic_unique$e_data
# Peaks metadata
groupMetadata <- organic_unique$e_meta[c("Mass","MolForm","bs1_class")]
# Combine data 
groupData <- merge(groupSummary,groupMetadata,by="Mass")
head(groupData)

Map MolForm to KEGG