Description Usage Arguments Value Examples
Group peaks with peak alignment.
1 2 3 |
sample.list |
list containing the sample's data. |
type |
type of the data. |
method |
method of peak alignment. Can be "own" or "metaboanalyst", which the later is for using the peak alignment used in MetaboAnalyst software. |
metadata |
data frame containing the metadata. |
samp.classes |
the metadata's variable to be used in the MetaboAnalyst method. |
description |
short description of the data. |
label.x |
the label for the x values. |
label.values |
the label for the y values. |
step |
step value for the peak alignment process. |
Returns a dataset with the peaks of the data aligned.
1 2 3 4 5 6 | ## Example of grouping peaks (computationally heavy)
library(specmine.datasets)
data(propolisSampleList)
peaks.ds = group_peaks(propolisSampleList, "nmr-peaks", method = "own",
metadata = NULL, description = "short description",
label.x = "ppm", label.values = "intensity", step = 0.03)
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