erah (version 2.0.1)

newExp: New Experiment

Description

Sets a new experiment for eRah

Usage

newExp(instrumental, phenotype = NULL, info = character())

Value

newExp returns an S4 object of the class 'MetaboSet'.

Arguments

instrumental

A data.frame containing the sample instrumental information.

phenotype

(optional) A data.frame containing sample phenotype information.

info

Experiment description

Author

Xavier Domingo-Almenara. [e-mail]

Details

See eRah vignette for more details. To open the vignette, execute the following code in R: vignette("eRahManual", package="erah")

References

[1] Xavier Domingo-Almenara, et al., eRah: A Computational Tool Integrating Spectral Deconvolution and Alignment with Quantification and Identification of Metabolites in GC-MS-Based Metabolomics. Analytical Chemistry (2016). DOI: 10.1021/acs.analchem.6b02927

See Also

createInstrumentalTable createPhenoTable setDecPar setAlPar

Examples

if (FALSE) {
library(gcspikelite)
data(targets)

files <- list.files(system.file('data',package = 'gcspikelite'),full.names = TRUE)
files <- files[sapply(files,grepl,pattern = 'CDF')]

instrumental <- createInstrumentalTable(files)
phenotype <- createPhenoTable(files,as.character(targets$Group[order(targets$FileName)]))

ex <- newExp(instrumental = instrumental, 
phenotype = phenotype, info = "DEMO Experiment")
}