joyPlot: Create a stacked plot of multiple chromatograms

In EuracBiomedicalResearch/CompMetaboTools: Utility Functions from the Eurac Research Computational Metabolomics Team

Create a stacked plot of multiple chromatograms

Description

The joyPlot function creates a stacked plot of chromatograms of a single sample (parameter sample). The name joyPlot was chosen as the created plot can, depending on the data, look similar to the cover of the Unknown Pleasures album of the band Joy Division.

The method is implemented for XCMSnExp and MChromatograms objects:

• For object being an MChromatograms: the function plots all chromatograms stacked (overlappingly) on top of each others assuming that the chromatograms are ordered by m/z (i.e. first row having the smallest, last row the largest m/z).

• For object being an XCMSnExp: the function will plot only chromatograms for chromatographic peaks present in the specified m/z range (parameter mz) and retention time range (parameter rt) in the sample sample.

Usage

## S4 method for signature 'MChromatograms'
joyPlot(
  object,
  sample = 1,
  yoffset = 0.3,
  xlim = NULL,
  ylim = NULL,
  col = "#000000",
  peakBg = "#ffffffaa",
  type = "l",
  ylab = "",
  xlab = "retention time",
  spacing = c("relative", "equal"),
  legend = FALSE,
  ...
)

## S4 method for signature 'XCMSnExp'
joyPlot(
  object,
  sample = 1L,
  mz = c(-Inf, Inf),
  rt = c(-Inf, Inf),
  yoffset = 0.3,
  col = "#000000",
  peakBg = "#ffffffaa",
  type = "l",
  ylab = "",
  xlab = "retention time",
  spacing = c("relative", "equal"),
  legend = FALSE,
  ...
)

Arguments

object	an MChromatograms or XCMSnExp object.
sample	integer(1) defining the sample (column in x) from which the plot should be created.
yoffset	numeric(1) defining the proportion of the y-axis to be used for the stacked chromatograms. The default value of yoffset = 0.3 uses 30% of the y axis to place the individual chromatograms (eiher equally spaced or relative to their m/z). This value is relative to the largest intensity value of all chromatograms.
xlim	optional numeric(2) defining the x-axis limits.
ylim	optional numeric(2) defining the y-axis limits.
col	color of the lines used to draw the chromatograms. Can be of length 1 or equal nrow(x).
peakBg	background color for the chromatograms. Can be of length 1 or equal nrow(x).
type	character(1) defining the plot type (see parameter type in base plot().
ylab	character(1) with the y-axis label.
xlab	character(1) with the x-axis label.
spacing	character(1) defining whether the chromatograms should be placed on the y-axis relative to their m/z value (spacing = "relative") or equally spaced (spacing = "equal").
legend	logical(1) whether m/z values should be displayed next to the chromatograms.
...	additional arguments to be passed to the plot function.
mz	for object being an XCMSnExp: numeric(2) defining the lower and upper m/z of the m/z range.
rt	for object being an XCMSnExp: numeric(2) defining the retention time range.

Value

besides creating the plot the function returns (invisibly) the y positions of the individual chromatograms.

Author(s)

Johannes Rainer

Examples

library(xcms)

## Load a test data set with detected peaks
data(faahko_sub)
## Update the path to the files for the local system
dirname(faahko_sub) <- system.file("cdf/KO", package = "faahKO")

one <- filterFile(faahko_sub, 1L)

## Plot stacked chromatograms for m/z slices containing chromatographic peaks
joyPlot(one, rt = c(4000, 4200))

## Plot the chromatograms equally spaced and showing also their m/z
res <- joyPlot(one, rt = c(4000, 4200), spacing = "equal", legend = TRUE)

## joyPlot returns the y position of the slices/chromatograms
res

## Disable transparency of individual peaks
joyPlot(one, rt = c(4000, 4200), spacing = "equal", peakBg = "#ffffff")

## To create a joy plot for the full data, not just the slices containing
## chromatographic peaks we have to first extract the respective
## chromatograms from the data. Below we define thus the m/z slices - with
## a rather large m/z range for each (i.e. of 1) in the m/z range 400 - 500
mzs <- seq(400, 500, by = 1)
chr <- chromatogram(one, mz = cbind(mzs[-length(mzs)], mzs[-1]), include = "none", rt = c(4000, 4200))

joyPlot(chr)

## And specyfying a different color for each chromatogram
joyPlot(chr, col = heat.colors(nrow(chr)))

## Finally, creating a plot that looks more like the album cover
par(bg = "#000000")
joyPlot(chr, col = "#ffffff", peakBg = "#000000aa", yoffset = 0.7)

EuracBiomedicalResearch/CompMetaboTools documentation built on Jan. 31, 2024, 1:14 p.m.