plotPeakSimple: Plot peaks - simple (old) interface

In acinostroza/TargetSearch: A package for the analysis of GC-MS metabolite profiling data

Plot peaks - simple (old) interface

Description

Plot selected ions in a given time range. This is the old plot peak interface. Note: This function is considered deprecated and its usage is discouraged; users should use ncdf4_plot_peak.

Usage

plotPeakSimple(rawpeaks, time.range, masses, cdfFile = NULL, useRI = FALSE,
	 rimTime = NULL, standard = NULL, massRange = NULL, ...)

Arguments

rawpeaks	A three component list containing the retention time, the intensity matrix, and the mass range. See peakCDFextraction.
time.range	The time range to plot in retention time or retention time index units to plot.
masses	A vector containing the ions or masses to plot.
cdfFile	The name of a CDF file. If a file name is specified, the ions will be extracted from there instead of using rawpeaks.
useRI	Logical. Whether to use Retention Time Indices or not.
rimTime	A retention time matrix of the found retention time markers. It is only used when useRI is TRUE.
standard	A numeric vector with RI values of retention time markers. It is only used when useRI is TRUE.
massRange	A two component numeric vector with the scan mass range to extract or NULL for automatic detection.
...	Further options passed to matplot.

Note

This function used to be named 'plotPeak'. This function was completely rewritten so we kept the old version and renamed it 'plotPeakSimple'.

Important: This function is considered deprecated, though it is not yet labeled as such. Please consider using ncdf4_plot_peak. This function, however, needs CDF files version 4.

That said, this function can still be used to plot peaks for CDF files version 3 without the need to convert them to CDF format 4.

Author(s)

Alvaro Cuadros-Inostroza, Matthew Hannah, Henning Redestig

See Also

plotPeak, RIcorrect, tsMSdata, tsRim, peakCDFextraction, matplot, ncdf4_plot_peak for the new interface.

Examples

require(TargetSearchData)
data(TSExample)

# update CDF path
CDFpath(sampleDescription) <- tsd_data_path()

# Plot the peak "Valine" for sample number 1
grep("Valine", libName(refLibrary)) # answer: 3
# select the first file
cdfFile  <- CDFfiles(sampleDescription)[1]

# select "Valine" top masses
top.masses <- topMass(refLibrary)[[3]]

# plot peak from the cdf file
plotPeakSimple(cdfFile = cdfFile, time.range = libRI(refLibrary)[3] + c(-2000,2000),
    masses = top.masses, useRI = TRUE, rimTime = RImatrix[,1],
    standard = rimStandard(rimLimits), massRange = c(85, 500))

# the same, but extracting the peaks into a list first. This may be better if
# you intend to loop through several peaks.
rawpeaks <- peakCDFextraction(cdfFile, massRange = c(85,500))
plotPeakSimple(rawpeaks, time.range = libRI(refLibrary)[3] + c(-2000,2000),
    masses = top.masses, useRI = TRUE, rimTime = RImatrix[,1],
    standard = rimStandard(rimLimits), massRange = c(85, 500))

acinostroza/TargetSearch documentation built on Nov. 22, 2024, 3:31 p.m.