metabCombiner-class: 'metabCombiner' Combined Metabolomics Dataset Class

In hhabra/Combiner: Method for Combining LC-MS Metabolomics Feature Measurements

'metabCombiner' Combined Metabolomics Dataset Class

Description

This is the main object for the metabCombiner package workflow. This object holds a combined feature table, along with a retention time warping model, the ordered pair anchors used to generate this model, important information organized by dataset, and key object statistics.

Slots

combinedTable

data frame displaying all feature pair alignments, combining measurements of all possible shared compounds

featData

data frame of feature metadata (id, m/z, rt, Q, adduct)

anchors

data frame of feature pairs used for RT warping model

model

list containing the last fitted nonlinear model(s)

datasets

list of constituent datasets from xdata & ydata inputs

xy

current X & Y datasets

nonmatched

list of data frames consisting of nonmatched features

coefficients

list of last used A,B,C similarity weight values

samples

list of sample name vectors from input datasets

extra

list of extra column name vectors from input datasets

stats

set of useful metabCombiner statistics

hhabra/Combiner documentation built on June 5, 2024, 10:56 a.m.