bins_Mitchell2018: NMR grouping bins from Mitchell et al. (2018).

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

NMR grouping bins from Mitchell et al. (2018).

Description

NMR grouping bins from Mitchell et al. (2018), using DMSO-D6 as solvent. (1) aliphatic polymethylene and methyl groups (0.6–1.3 ppm); (2) N- and O-substituted aliphatic (1.3–2.9 ppm); (3) O-alkyl (2.9–4.1 ppm); (4) alpha-proton of peptides (4.1–4.8 ppm); (5) anomeric proton of carbohydrates (4.8–5.2 ppm); (6) aromatic and phenolic (6.2–7.8 ppm); (7) amide (7.8–8.4 ppm).

Usage

bins_Mitchell2018

Format

A data frame with 7 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

P Mitchell et al. 2018. “Nuclear Magnetic Resonance Analysis of Changes in Dissolved Organic Matter Composition with Successive Layering on Clay Mineral Surfaces.” Soil Systems \Sexpr[results=rd]{tools:::Rd_expr_doi("10.3390/soils2010008")}

See Also

bins_Clemente2012 bins_Lynch2019 bins_Hertkorn2013

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