vanKrevelenPlot: Van Krevelen plot of an ftmsData object

In EMSL-Computing/fticRanalysis: Analysis and visualization tools for FT-MS data

Van Krevelen plot of an ftmsData object

Description

Create a Van Krevelen plot (H:C ratio vs O:C ratio) for an ftmsData object using Plotly.

Usage

vanKrevelenPlot(
  ftmsObj,
  title = NA,
  colorPal = NA,
  colorCName = NA,
  vkBoundarySet = "bs1",
  showVKBounds = TRUE,
  xlabel = "O:C Ratio",
  ylabel = "H:C Ratio",
  legendTitle = colorCName
)

Arguments

ftmsObj	an object of class 'peakData' or 'compoundData', (output of as.peakData or mapPeaksToCompounds), or a 'groupSummary' object (output of summarizeGroups) or a 'comparisonSummary' object (output of summarizeGroupComparisons).
title	plot title
colorPal	color palette function, one of col_numeric, col_factor or similar scales palette function
colorCName	column name of ftmsObj$e_data or ftmsObj$e_meta to use for coloring the points. If NA and vkBoundarySet is provided, the points will be colored according to the Van Krevelen category.
vkBoundarySet	character vector specifying which boundary set to use when determining class. Valid options are currently "bs1" and "bs2" and defaults to "bs1". See details of assign_class for differences in sets.
showVKBounds	TRUE/FALSE, should the Van Krevelen bounds be plotted?
xlabel	x axis label, default is "O:C Ratio"
ylabel	y axis label, default is "H:C Ratio"
legendTitle	title for the legend, only used when coloring points according to a numeric scale

Value

a plotly object

Author(s)

Amanda White

See Also

plot_ly

EMSL-Computing/fticRanalysis documentation built on March 23, 2024, 8:36 p.m.