paramagpy.metal.Metal.fast_pre

Metal.fast_pre(posarray, gammaarray, rtype, dsa=True, sbm=True, gsbm=False, csaarray=0.0)[source]

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

Parameters

  • posarray (array with shape (n,3)) – array of positions in meters

  • gammaarray (array with shape (n,3)) – array of gyromagnetic ratios of the spins

  • 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

  • csaarray (array with shape (m,3,3) (optional)) – array of CSA tensors of the spins. This defualts to 0.0, meaning CSAxDSA crosscorrelation is not accounted for.

Returns

rates – The PRE rates in /s

Return type

array with shape (n,1)