In order to be able to perform the decomposition of the radial scatter profiles contained in the XRD data cube, the different
crystalline phases must be identified a priori. This was done by comparing some of the diffractograms IXRD(x, ω, 2θ) with the patterns present in the ICDD PDF-2 database. For each of the identified crystal phases c, a ‘pure phase’ diffractogram Gc(2θ) was calculated for use in Eqn 3.