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

bins_CadeMenun2015 {nmrrr}

R Documentation

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