spant (version 1.1.0)

get_uncoupled_mol: Generate a mol_parameters object for a simple spin system with one resonance.

Description

Generate a mol_parameters object for a simple spin system with one resonance.

Usage

get_uncoupled_mol(name, chem_shift, nucleus, scale_factor, lw, lg)

Arguments

name

name of the molecule.

chem_shift

chemical shift of the resonance (PPM).

nucleus

nucleus (1H, 31P...).

scale_factor

multiplicative scaling factor.

lw

linewidth in Hz.

lg

Lorentz-Gauss lineshape parameter (between 0 and 1).

Value

mol_parameters object.