plotChemShiftDist: Plot histogram of chemical shifts for the multiplets across a...

In batman: Bayesian AuTomated Metabolite Analyser for NMR spectra

Description

This function plots the histogram of the mean posterior estimated chemical shifts for the multiplets of certain or all metabolites across a series of spectra. User can choose to plot all or some of the metabolite. The figure file will not be overwritten if it already exists by default. A prefix can be added to the file name for new saves.

Usage

plotChemShiftDist(BM, metaName, breaks = 20, xlim, 
                  saveFig = TRUE, saveFigDir = BM$outputDir,
                  prefixFig, overwriteFig = FALSE, showPlot )

Arguments

BM	batman output data frame.
metaName	One or more specified metabolites will be shown. If no name was given, all the individual metabolites will be shown.
breaks	A single number to set the number of bins for the histogram.
xlim	The range of x values.
saveFig	Save figure to pdf file if set TRUE. The default is TRUE.
saveFigDir	Save figure in this directory. The default is output directory of BM.
prefixFig	Add prefix to each saved figure name. The default is no prefix.
overwriteFig	Overwrite saved figure file in pdf format if overwriteFig = TRUE. If set to FALSE, a new figure file with system time as postfix will be created. The default is FALSE.
showPlot	If set FALSE, no plot will be shown on display, the pdf file(s) for the figure plot(s) will be created in output folder. If missing from input, for windows and osx operating systems, it will be set to TRUE, for the rest operating systems, it will be set to FALSE automatically.

Examples

library(batman)
## Run BATMAN 
if(interactive()) 
{
bm<-batman()
## then plot results
plotChemShiftDist(bm)
}

batman documentation built on May 2, 2019, 6:13 p.m.