bins_Lynch2019: NMR grouping bins from Lynch et al. (2019).

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

NMR grouping bins from Lynch et al. (2019).

Description

NMR grouping bins from Lynch et al. (2019), using D2O as solvent. (1) methyl, methylene, and methane bearing protons (0.6–1.6 ppm) ; (2) unsaturated functional groups (1.6–3.2 ppm), including ketone, benzylic, and alicyclic-bearing protons; (3) unsaturated, heteroatomic compounds, including O-bearing carbohydrates, ethers, and alcohols (3.2–4.5 ppm); (4) conjugated, double bond functionalities, including aromatic, amide, and phenolic structures (6.5–8.5 ppm).

Usage

bins_Lynch2019

Format

A data frame with 4 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

LM Lynch et al. 2019. “Dissolved Organic Matter Chemistry and Transport along an Arctic Tundra Hillslope.” Global Biogeochemical Cycles \Sexpr[results=rd]{tools:::Rd_expr_doi("10.1029/2018GB006030")}

See Also

bins_Clemente2012 bins_Mitchell2018 bins_Hertkorn2013

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