MMM_fit

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

Normalization

correction

Integrates the 13C nuclear magnetic resonance spectra using different integration ranges. Output depends on the method chosen. For the Molecular Mixing Model, a measurement of the fitting quality is given by its R-factor. For more details see: <doi:10.5281/zenodo.10137768>.

Luis Colocho

SOMnmR

Analysis of Soil Organic Matter using Nuclear Magnetic Resonance

MMM_fit function

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

Arguments

All combination fitting of NMR spectra. — MMM_fit

<dl>

<dt>sample</dt>
<dd>Sample Integrals</dd>


<dt>standards</dt>
<dd>List of all standards</dd>


<dt>ex.smaller</dt>
<dd>Exclude portions smaller than a given value (decimal form), default to NULL</dd>


<dt>NMRmeth</dt>
<dd>Regions to be integrated, methods available include: "4region", "Bonanomi", "Smernik" and Molecular mixing model ("MMM").</dd>


<dt>FixNC</dt>
<dd>TRUE or FALSE, for fixing or not the NC ratio on the sample fitting.</dd>

</dl>

MMM_fit: All combination fitting of NMR spectra.

Description

Usage

Value

Arguments