get_uncoupled_mol: Generate a 'mol_parameters' object for a simple spin system...

In martin3141/spant: MR Spectroscopy Analysis Tools

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.

martin3141/spant documentation built on April 14, 2024, 4:15 a.m.