int_nmr {SOMnmR}

Integration function

Description

This function allows you to integrate the 13C-NMR spectra using diferent integration regions. The loaded Raw spectra can be integrated using the spinning side bands regions(default), the Bonanomi("Bonanomi") regions or the Molecular Mixing Model regions("MMM"). The function returns the corrected, normalized and flattened spectrum

Usage

int_nmr(raw.spec, NMRmeth = NULL, NMR_field = NULL, NMR_rotation = NULL)

Arguments

raw.spec

Raw spectrum

NMRmeth

Regions to be integrated. Default is spinning side bands, other methods available include: Bonanomi ("Bonanomi") and Molecular mixing model ("MMM" or "MMM").

NMR_field

Magnetic field of the NMR

NMR_rotation

Rotation frequency of the sample probe in the NMR

Value

A nested list containing in the first level a string (name) and a list (data) which contains two data frames one the raw spectrum and another the output of table of the integration with the spinning side bands.

Examples

data(GarciaF200)
Integralregions <- int_nmr(GarciaF200, NMRmeth = "4region", NMR_field = 200, NMR_rotation = 6800)