newExp: New Experiment

In erah: Automated Spectral Deconvolution, Alignment, and Metabolite Identification in GC/MS-Based Untargeted Metabolomics

New Experiment

Description

Sets a new experiment for eRah

Usage

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

Arguments

instrumental	A data.frame containing the sample instrumental information.
phenotype	(optional) A data.frame containing sample phenotype information.
info	Experiment description

Details

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

Value

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

Author(s)

Xavier Domingo-Almenara. [e-mail]

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

## Not run: 
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")

## End(Not run)

erah documentation built on June 22, 2024, 11:01 a.m.