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

Source: R/mol_parameters.R

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

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.
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.