metabCombiner: Form a metabCombiner object.

In metabCombiner: Method for Combining LC-MS Metabolomics Feature Measurements

Description

metabCombiner() takes two metabolomics featurelists, contained in metabData objects and constructs a merged dataset containing groups of features detected in both featurelists with similar m/z values.

Takes two untargeted metabolomics feature lists (consisting of m/z, rt, and sample intensity measurements, plus optional identifiers & adduct labels) and outputs a merged feature list consisting of potential compound matches, ranked by a similarity score for groups of features. Inputs are assumed to be derived from biologically similar samples analyzed with a similar analytical method.

Usage

metabCombiner(xdata, ydata, binGap = 0.005)

Arguments

xdata	metabData object. One of two datasets to be combined.
ydata	metabData object. One of two datasets to be combined.
binGap	numeric. Parameter used for grouping features by m/z. See ?mzGroup for more details.

Details

The binGap argument defines consecutive differences between grouped m/z features. metabCombiner objects are used for all subsequent processing steps.

Value

a metabCombiner object

Examples

data(plasma30)
data(plasma20)

p30 <- metabData(plasma30, samples = "CHEAR")
p20 <- metabData(plasma20, samples = "Red", rtmax = 17.25)

p.comb = metabCombiner(xdata = p30, ydata = p20, binGap = 0.0075)

metabCombiner documentation built on Dec. 10, 2020, 2 a.m.