plot_defect: Plots the Kendrick Mass Defect of a peak

In gcxgclab: GCxGC Preprocessing and Analysis

Plots the Kendrick Mass Defect of a peak

Description

plot_defect Plots Kendrick Mass Defect of a peak.

Usage

plot_defect(ms, compound_mass = 14.01565, title = "Kendrick Mass Defect")

Arguments

ms	a data.frame object. A data frame of the mass values and the percent intensity values, ideally the output of find_ms().
compound_mass	a float object. The exact mass, using most common ions, of the desired atom group to base the Kendrick mass on. Default is 14.01565, which is the mass for CH_2.
title	a string object. Title placed at the top of the plot. Default title "Kendrick Mass Defect".

Details

This function produces a scatter plot of the Kendrick mass defects for mass spectrum data. Plotted using ggplot from ggplot2 package \insertCiteggplot2gcxgclab.

Value

A ggplot object. A line plot of the mass spectra data. The mass values vs the percent intensity values as a percent of the highest intensity.

References

\insertAllCited

Examples

file <- system.file("extdata","sample1.cdf",package="gcxgclab")
frame <- extract_data(file,mod_t=.5)
peaks <- top_peaks(frame$TIC_df, 5)
mz <- find_ms(frame, t_peak=peaks$'T'[1])
plot_ms(mz)
plot_defect(mz,title="Kendrick Mass Defect, CH_2")

gcxgclab documentation built on May 29, 2024, 5:33 a.m.