metabCombiner {metabCombiner} | R Documentation |
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.
metabCombiner(xdata, ydata, binGap = 0.005)
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. |
The binGap
argument defines consecutive differences between grouped
m/z features. metabCombiner
objects are used for all subsequent
processing steps.
a metabCombiner object
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)