plot_NMR {SOMnmR}

NMR Plotting Function

Description

This function allows you to plot the 13C-NMR spectra using marking different integration regions. The loaded Raw spectra are intensity normalized and plotted with the chosen integration regions, either spinning side bands (default), the Bonanomi("Bonanomi") regions or the Molecular Mixing Model regions("MMM"). The function returns the plots as images either tiff or png, normalized and flattened spectrum

Usage

plot_NMR(
  raw.spec,
  NMRmeth = NULL,
  use.tiff = NULL,
  set.plot.ymax = NULL,
  file.output = NULL
)

Arguments

raw.spec

loaded NMR spectra

NMRmeth

Regions to be integrated, methods available include: "4region", "Bonanomi", "Smernik" and Molecular mixing model ("MMM").

use.tiff

Logical, default to FALSE (use png)

set.plot.ymax

Set maximum of plot y axis, defaults to NULL

file.output

Logical, default to FALSE

Value

A plot of the NMR spectrum and a csv file of the data plotted.

Examples

library(ggplot2)
data("GarciaF200")
plot_NMR(GarciaF200, NMRmeth = "MMM", file.output = FALSE, use.tiff = FALSE)