ess.diffraction.pdf.pair_distribution_function#

ess.diffraction.pdf.pair_distribution_function(G, *, atomic_density)[source]#

Compute the pair distribution function from a pair correlation function.

Computes the pair distribution function

\[g(r) = 1 + \frac{G(r)}{4 \pi \rho r}\]

where \(G(r)\) is the pair_correlation_function() and \(\rho\) is the atomic density.

\(g\) and \(G\) are both defined on bin-edges in \(r\). The \(r\) variable in the denominator is computed on the midpoints of r.

Parameters:

Returns:

g (scipp.DataArray) – 1D array representing \(g(r)\).