plot_nist: Plots the mass spectra of a NIST compound.

In gcxgclab: GCxGC Preprocessing and Analysis

Plots the mass spectra of a NIST compound.

Description

plot_nist Plots the mass spectra of a NIST compound.

Usage

plot_nist(nistlist, k, ms, title = "NIST Mass Spectrum")

Arguments

nistlist	a list object, a list of compound MS data from the NIST MS Library database, ideally the output of nist_list().
k	a integer object, the index of the NIST compound in the nistlist input.
ms	a data.frame object, a data frame of the mass values and the percent intensity values, ideally the output of find_ms().
title	a string object. Title placed at the top of the plot. Default title "Mass Spectrum".

Details

This function produces line plot of the mass spectra data from the sample on top, and the mass spectrum from a NIST compound entry on the bottom. The mass values vs the percent intensity values as a percent of the highest intensity 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

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