get_uncoupled_mol {spant}

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,
  full_name = NULL
)

Arguments

name

abbreviated name of the molecule.

chem_shift

chemical shift of the resonance (PPM).

nucleus

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

scale_factor

multiplicative scaling factor. Note, this value can be made complex to adjust the phase of the resonance.

lw

linewidth in Hz.

lg

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

full_name

long name of the molecule (optional).

Value

mol_parameters object.