AddPlottingStuff: Add plotting variables

In speaq: Tools for Nuclear Magnetic Resonance (NMR) Spectra Alignment, Peak Based Processing, Quantitative Analysis and Visualizations

Add plotting variables

Description

This functions adds a few variables which make plotting features easier (and more informative). Since for example every peaks keeps it original ppm value, if you want to plot the groups this function adds the group ppm value. Also sample labels can be added.

Usage

AddPlottingStuff(Y.peaks, X.ppm = NULL, groupLabels = NULL)

Arguments

Y.peaks	data frame obtained from either of the 'getWaveletPeaks', 'PeakAligner' or 'PeakFilling' function.
X.ppm	The vector with the ppm values (numeric vector).
groupLabels	The groupLabels (numeric or factor).

Value

Returns a data frame with added plotting variables (groupPPM for aligned features and labels for plotting).

Author(s)

Charlie Beirnaert, [e-mail]

Examples

subset <- GetWinedata.subset()
subset.spectra = as.matrix(subset$Spectra)
subset.ppm = as.numeric(subset$PPM)

test.peaks <- getWaveletPeaks(Y.spec=subset.spectra, 
                              X.ppm=subset.ppm,
                              nCPU = 1) # nCPU set to 2 for the vignette build
                              
test.peaks.plot = AddPlottingStuff(test.peaks, subset.ppm, subset$Color)
#head(test.peaks.plot)

speaq documentation built on May 23, 2022, 5:06 p.m.