paramagpy.metal.Metal.racs¶
- Metal.racs(csa)[source]¶
Calculate the residual anisotropic chemical shift at the given postition.
The partial alignment induced by an anisotropic magnetic susecptiblity causes the chemical shift tensor at a nuclear position to average to a value different to the isotropic value.
- Parameters
csa (3 x 3 array) – the chemical shift anisotropy tensor
- Returns
racs – the residual anisotropic chemical shift in parts-per-million (ppm)
- Return type
float