sneumann

library(httr)
library(rmzTabM)
library(xcms)
library(faahKO)
data(faahko3)

faahkoMzTab <- rmzTabM::MzTab$new(
  metadata=Metadata$new(
    'mzTab-version' = "2.2.0-M",
    'mzTab-ID' = "faahKO",

sneumann

   - id: chemont
     preferredPrefix: ChemOnt
     title: ChemOnt: A semantic-based ontology for chemical and biological data integration.
     uri: http://classyfire.wishartlab.com/
     description: "ChemOnt is comphrehensive, computable, and manually curated. 
It covers >4000 chemical classes of organic and inorganic compounds. The set of classes was created 
and extended by extracting common terms from the scientific literature (e.g.: IUPAC) and available databases. 
The flexibility The taxonomy is currently mapped to the ChEBI and LIPID MAPS ontologies in collaboration 
with the respective teams. Moreover, ChemOnt has been partially mappped to the MeSH thesaurus. 
The mapping effort in this regard is ongoing. Thanks to the flexibility and simplicity of its structure 

sneumann

## TODO:
## study-variable , separated -> DONE
## assay[1]-assay[2]-assay[3]-assay[4]-assay[5]-assay[6]

## link sample - assay:
##
## MTD	sample[1]-description	KO15
## MTD	assay[1]-sample_ref	sample[1]

library(plyr) ## for rbind.fill

sneumann

library(multtest)


## A convenience function cut&paste from
## https://github.com/sneumann/xcms/blob/master/R/xcmsSet.R#L2052
pval <- function(X, classlabel, teststat) {

    n1 <- rowSums(!is.na(X[,classlabel == 0]))
    n2 <- rowSums(!is.na(X[,classlabel == 1]))
    A <- apply(X[,classlabel == 0], 1, sd, na.rm=TRUE)^2/n1 ## sd(t(X[,classlabel == 0]), na.rm = TRUE)^2/n1