bins_Hertkorn2013: NMR grouping bins from Hertkorn et al. (2013).

In bpbond/nmrrr: Binning and Visualizing NMR Spectra in Environmental Samples

NMR grouping bins from Hertkorn et al. (2013).

Description

NMR grouping bins from Hertkorn et al. (2013), using MeOD as solvent. (1) aliphatics, HCCC (0.0-1.9); (2) acetate analogs and CRAM (carboxyl-rich alicyclic materials), HCX (1.9-3.1); (3) carbohydrate-like and methoxy, HCO (3.1-4.9); (4) olefinic HC=C (5.3-7.0); (5) aromatic (7.0-10.0).

Usage

bins_Hertkorn2013

Format

A data frame with 5 rows and 5 variables:

number

Bin number

group

Name of bin group

start

ppm shift range, lower limit

stop

ppm shift range, upper limit

description

Description of the bin group

Note

The NMR spectrum can be split into several bins, based on chemical shift (ppm). Binsets are specific to nuclei and solvents and by definition are open on the left and closed on the right; for example, a bin of (0,1) includes 1 but not 0.

Source

N. Hertkorn et al. 2013. "High-field NMR spectroscopy and FTICR mass spectrometry: powerful discovery tools for the molecular level characterization of marine dissolved organic matter" Biogeosciences \Sexpr[results=rd]{tools:::Rd_expr_doi("10.5194/bg-10-1583-2013")}

See Also

bins_Clemente2012 bins_Lynch2019 bins_Mitchell2018

bpbond/nmrrr documentation built on Aug. 26, 2023, 6:53 p.m.