specmine (version 3.1.6)

group_peaks: Group peaks

Description

Group peaks with peak alignment.

Usage

group_peaks(sample.list, type, method = "own", metadata = NULL, 
samp.classes = 1, description = "", label.x = NULL, 
label.values = NULL, step = 0.03)

Arguments

sample.list

list containing the sample's data.

type

type of the data.

method

method of peak alignment. Can be "own" or "metaboanalyst", which the later is for using the peak alignment used in MetaboAnalyst software.

metadata

data frame containing the metadata.

samp.classes

the metadata's variable to be used in the MetaboAnalyst method.

description

short description of the data.

label.x

the label for the x values.

label.values

the label for the y values.

step

step value for the peak alignment process.

Value

Returns a dataset with the peaks of the data aligned.

Examples

# NOT RUN {
   ## Example of grouping peaks (computationally heavy)
   library(specmine.datasets)
   data(propolisSampleList)
   peaks.ds = group_peaks(propolisSampleList, "nmr-peaks", method = "own", 
	   	metadata = NULL, description = "short description", 
		label.x = "ppm", label.values = "intensity", step = 0.03)
# }