bins_CadeMenun2015: NMR grouping bins from Cade-Menun (2015).

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

NMR grouping bins from Cade-Menun (2015).

Description

NMR grouping bins from Cade-Menun (2015), for 31P, using D2O as a solvent. (1) polyphosphate (-20 to -4); (2) diester (-1.5 to 2.0); (3) monoester (3.0 to 5.5); (4) orthophosphate (5.5 to 9.0); (5) phosphate (9.0 to 40.0)

Usage

bins_CadeMenun2015

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

B. Cade-Menun. "Improved peak identification in 31P-NMR spectra of environmental samples with a standardized method and peak library". Geoderma. \Sexpr[results=rd]{tools:::Rd_expr_doi("10.1016/j.geoderma.2014.12.016")}

See Also

bins_Clemente2012 bins_Lynch2019 bins_Mitchell2018

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