All functions

bccenter()

Centering batch correction

bclevel()

Level scaling batch correction

bcpareto()

Pareto scaling batch correction

bcrange()

Range scaling batch correction

bcscaling()

Scaling batch correction

bcvast()

Vast scaling batch correction

hmdbcms

A list containing HMDB GC-EI-MS spectra database

monahrms1

A list containing MoNA LC-HRMS spectra database

monams1

A list containing MoNA LC-MS spectra database

mzm

A vector containing m/z from matrix blank

mzmlviz()

Generate figure for mzml raw data

mzrtsim()

Generate simulated count data with batch effects for npeaks

runmzMLsim()

Shiny application for raw data simulation

runmzrtsim()

Shiny application for batch simulation and correction based on real data

simdata()

Save the simulated data as csv files

simmzml()

Generate simulated mzml data and compounds list