mol_parameters
object for a simple spin system with one resonance.R/mol_parameters.R
get_uncoupled_mol.Rd
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
)
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). |
mol_parameters object.