parse_coupling: Parse coupling strings

In ssokolen/rnmrfit: Robust NMR Lineshape Fitting in the Frequency Domain

Description

Converts a coupling specification of the form '3.0 d 1.0' into the chemical shift, thenumber of peaks involved and the coupling between them. Currently, the supported codes include s, d, t, q, quint, sext, sept, oct, dd, dt, td, and tt. The latter 4 expect two coupling values. The exact syntax of the specification is quite flexible, as the function tries to remove all brackets and punctuation and convert common spacers like - and _ into whitespace.

Usage

parse_coupling(coupling.string)

Arguments

coupling.string

A character vector with elements of the form '3.0 d 1.0'

Value

A list of three lists – chemical.shift, peaks, and coupling respectively. Both peaks and couplng lists may have one or two length vectors as elements. Singlets are assigned a coupling of NA.

ssokolen/rnmrfit documentation built on May 23, 2019, 1:48 p.m.