detect_nmr_peaks_from_dataset: Detection of the peaks in an NMR spectra dataset.

In specmine: Metabolomics and Spectral Data Analysis and Mining

Description

This function detects the peaks, that have a minimum intensity of baseline_tresh, and performs alignment of those peaks.

Usage

detect_nmr_peaks_from_dataset(dataset, baseline_tresh=50000,
                              ap.method="own", ap.samp.classes=1, ap.step=0.03)

Arguments

dataset	list representing the dataset from a metabolomics experiment.
baseline_tresh	Minimum intensity value that peaks must have. Peaks with intensity smaller than baseline_tresh will not be considered as detected peaks.
ap.method	Method to used in the alignment of peaks, after they are identified. Can be "own" or "metaboanalyst", which the later is for using the peak alignment used in MetaboAnalyst software.
ap.samp.classes	the metadata's variable to be used in the MetaboAnalyst method.
ap.step	step value for the peak alignment process

Value

Returns a dataset with the peaks detected and aligned.

specmine documentation built on Sept. 21, 2021, 5:06 p.m.