paramagpy.metal.Metal.fast_pcs

Metal.fast_pcs(posarray)

A vectorised version of paramagpy.metal.Metal.pcs()

This efficient algorithm calculates the PCSs for an array of positions and is best used where speed is required for fitting.

Parameters

posarray (array with shape (n,3)) – array of ‘n’ positions (x, y, z) in meters

Returns

pcs – the peudo-contact shift in parts-per-million (ppm)

Return type

array of floats with shape (n,1)