plot_gauss2: Plots a 3D peak with the fitted Gaussian curve.

In gcxgclab: GCxGC Preprocessing and Analysis

Plots a 3D peak with the fitted Gaussian curve.

Description

plot_gauss2 Plots a 3D peak with the fitted Gaussian curve.

Usage

plot_gauss2(TIC_df, gauss2_return, title = "Peak fit to Gaussian")

Arguments

TIC_df	a data.frame object. Data frame with 4 columns (Overall Time Index, RT1, RT2, TIC), ideally the output from create_df(), or the first data frame returned from extract_data(), $TIC_df.
gauss2_return	a data.frame object. The output from guass_fit(). A data frame with two columns, (time, guassfit), the time values around the peak, and the intensity values fitted to the optimal Gaussian curve.
title	a string object. Title placed at the top of the plot.

Details

This function plots the points around the peak with a contour plot of the Gaussian curve fit to the peak data, using ggplot from ggplot2 package \insertCiteggplot2gcxgclab.

Value

A ggplot object. A contour plot of the Gaussian curve fit to the peak data.

References

\insertAllCited

Examples

file <- system.file("extdata","sample1.cdf",package="gcxgclab")
frame <- extract_data(file,mod_t=.5)
peaks <- top_peaks(frame$TIC_df, 5)
gaussfit2 <- gauss2_fit(frame$TIC_df, peakcoord=c(peaks$'X'[1], peaks$'Y'[1]))
message(paste('Volume under curve =',gaussfit2[[3]],'u^3'))
plot_gauss2(frame$TIC_df, gaussfit2[[1]])

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