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SOMnmR (version 0.3.0)

Analysis of Soil Organic Matter using Nuclear Magnetic Resonance

Description

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: .

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Install

install.packages('SOMnmR')

Monthly Downloads

212

Version

0.3.0

License

MIT + file LICENSE

Issues

1

Pull Requests

0

Stars

1

Forks

1

Maintainer

Luis Colocho

Last Published

July 4th, 2024

Functions in SOMnmR (0.3.0)

ssb_offset

Spinnning side bands ofset calculation function This function calculates the spinning side band ofset for a given 13C NMR table. The function returns the 13C NMR integration table to be used in the int_nmr function.
GarciaF200

GarciaF200 sub data set from Garcia-Franco et al. (2021)
Smernik200

Smernik200 data set from Smernik et al. (2008)
Hall300

Hall sub data set from Hall et al. (2020)
std_nmr

Create a data frame of standard NMR areas
int_nmr

Integration function
fit_LCF

Porting for linear combination fitting
MMM_fit

All combination fitting of NMR spectra.
read_raw_spec

Read spectra
NMR_table

Create a data frame of standard NMR areas
Smernik400

Smernik400 data set from Smernik et al. (2008)
MMM_solve_QP

Linear combination fitting solve function
mk_nc_data

Create .csv file for CN data
plot_NMR

NMR Plotting Function
ncHall300

Hall sub data set from Hall et al. (2020)
nc_data

N/C data merge function
region_calc

Functional groups calculation