paramagpy.metal.Metal.pre

Metal.pre(position, gamma, rtype, dsa=True, sbm=True, gsbm=False, csa=0.0)[source]

Calculate the PRE for a set of spins using Curie and or SBM theory

Parameters

  • position (array of floats) – position in meters

  • gamma (float) – gyromagnetic ratio of the spin

  • rtype (str) – either ‘r1’ or ‘r2’, the relaxation type

  • dsa (bool (optional)) – when True (defualt), DSA or Curie spin relaxation is included

  • sbm (bool (optional)) – when True (defualt), SBM spin relaxation is included

  • gsbm (bool (optional)) – when True (default=False), anisotropic dipolar relaxation is included using the spectral power density gensor <g_tensor> NOTE: when true, ignores relaxation of type SBM NOTE: only implemented for R1 relaxation calculations

  • csa (array with shape (3,3) (optional)) – CSA tensor of the spin. This defualts to 0.0, meaning CSAxDSA crosscorrelation is not accounted for.

Returns

rate – The PRE rate in /s

Return type

float