mz_vis: Visualize mass difference distribution

In tnaake/MetNet: Inferring metabolic networks from untargeted high-resolution mass spectrometry data

Visualize mass difference distribution

Description

The function 'mz_vis' visualizes the mass difference distribution, which has been summarized by 'mz_summary'.

Usage

mz_vis(df, var = "group")

Arguments

df	'data.frame', previously generated by 'mz_summary'. Needs to contain the columns "transformation", "mass_difference" and "counts".
var	'character(1)', the column in 'df' to visualize on the y-axis

Details

Plots the mass difference distribution, summarized by 'mz_summary'. Visualization is performed using ggplot2

Value

'ggplot' object and corresponding barplot for visualizations

Author(s)

Liesa Salzer, [e-mail] and Thomas Naake, [e-mail]

Examples

data("x_test", package = "MetNet")
transformation <- rbind(
    c("Monosaccharide (-H2O)", "C6H10O5", "162.0528234315"),
    c("Disaccharide (-H2O)", "C12H20O11", "340.1005614851"),
    c("Trisaccharide (-H2O)", "C18H30O15", "486.1584702945"))
transformation <- data.frame(group = transformation[, 1],
                                formula = transformation[, 2],
                                mass = as.numeric(transformation[, 3]))
am_struct <- structural(x_test, transformation, 
    var = c("group", "formula", "mass"), ppm = 5, directed = TRUE)
mz_sum <- mz_summary(am_struct, var = "group")
mz_vis(mz_sum)

tnaake/MetNet documentation built on Feb. 21, 2023, 12:20 p.m.