Alignment list

The list of aligned metabolites and their relative quantification for each sample in a given experiment

Usage

alignList(object, by.area = TRUE)

# S4 method for MetaboSet
alignList(object, by.area = TRUE)

object: A 'MetaboSet' S4 object containing the experiment data. The experiment has to be previously deconvolved, aligned and (optionally) identified.
by.area: if TRUE (default), eRah outputs quantification by the area of the deconvolved chromatographic peak of each compound. If FALSE, eRah outputs the intensity of the deconvolved chromatographic peak.

alignList returns a data frame object:

AlignID: The unique Tag for found metabolite by eRah. Each metabolite found by eRah for a given experiment has an unique AlignID tag number.
Factor: the Factor tag name. Each metabolite has an unique 'Factor' name to enhance visual interpretation.
tmean: The mean compound retention time.
FoundIn: The number of samples in which the compound has been detected (the number of samples where the compound area is non-zero).
Quantification: As many columns as samples and as many rows as metabolites, where each column name has the name of each sample.

Returns an alignment table containing the list of aligned metabolites and their relative quantification for each sample in a given experiment.