bins_ss_Clemente2012: NMR grouping bins from Clemente et al. (2012) - ss.

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

NMR grouping bins from Clemente et al. (2012) - ss.

Description

NMR grouping bins from Clemente et al. (2012), for solid-state NMR. (1) alkyl C (0-50); (2) O-alkyl C (60-93); (3) anomeric C (95-110); (4) aromatic C (110-160); (5) carboxyl-carbonyl C (160-200)

Usage

bins_ss_Clemente2012

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

JS Clemente et al. 2012. “Comparison of Nuclear Magnetic Resonance Methods for the Analysis of Organic Matter Composition from Soil Density and Particle Fractions.” Environmental Chemistry \Sexpr[results=rd]{tools:::Rd_expr_doi("10.1071/EN11096")}

See Also

bins_Clemente2012 bins_ss_Preston2009 bins_Mitchell2018

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