peak_alignment {mzDeco} R Documentation

Do COW peak alignment and export peaktable

Description


Correlation optimized warping (COW) based on the total ion
current (TIC) is a widely used time alignment algorithm
(COW-TIC). This approach works successfully on chromatograms
containing few compounds and having a well-defined TIC.

Usage

peak_alignment(samples,
    mzdiff = 0.01,
    ri.win = 10,
    norm = FALSE,
    ri.alignment = FALSE,
    max.intensity.ion = FALSE);

Arguments

samples

should be a set of sample file data, which could be extract from the mz_deco function.

mzdiff

[as double]

norm

do total ion sum normalization after peak alignment and the peaktable object has been exported?. [as boolean]

env

[as Environment]

Details

Authors

BioNovoGene

Value

this function returns data object of type xcms2.

clr value class

Examples

 let peaksdata = lapply(files, function(ms1) {
     mz_deco(ms1, tolerance = "da:0.01", peak.width = [3,30]);
 });
 let peaktable = peak_alignment(samples = peaksdata);
 
 write.csv(peaktable, 
     file = "/path/to/peaktable.csv", 
     row.names = TRUE);
[Package mzDeco version 1.0.0.0 Index]