This stanza gives much different PDF values although they should not depend on r-sampling. Find out what is going wrong with qmax cutoff and/or rstep interpolation.
pc=PDFCalculator(qmax=11, rstep=0.01)
ni=loadStructure('nickel.cif')
r0, g0=pc(ni, rstep=0.01, qmax=11)
r1, g1=pc(ni, rstep=numpy.pi/11, qmax=11)
This stanza gives much different PDF values although they should not depend on r-sampling. Find out what is going wrong with qmax cutoff and/or rstep interpolation.