MMM_fit: All combination fitting of NMR spectra.

In SOMnmR: Analysis of Soil Organic Matter using Nuclear Magnetic Resonance

All combination fitting of NMR spectra.

Description

The function wraps the Linear combination fit of the integrated regions of the molecular mixing model.

Usage

MMM_fit(sample, standards, ex.smaller = NULL, NMRmeth, FixNC)

Arguments

sample	Sample Integrals
standards	List of all standards
ex.smaller	Exclude portions smaller than a given value (decimal form), default to NULL
NMRmeth	Regions to be integrated, methods available include: "4region", "Bonanomi", "Smernik" and Molecular mixing model ("MMM").
FixNC	TRUE or FALSE, for fixing or not the NC ratio on the sample fitting.

Value

A dataframe containing the result of the fitting exercise.

SOMnmR documentation built on July 4, 2024, 9:06 a.m.