To understand the location of adsorbates in greater detail, beyond the global view offered by pore isotherm analysis, it was necessary to obtain the pore centres. This was achieved by applying a clustering algorithm to the pore structure probes to delineate each pore, obtaining the pore centre for each pore in the crystal structure. Applying this algorithm is not entirely straightforward and requires careful choice of maximum distance between samples (EPS or epsilon) and minimum number of samples to effectively separate the probes into each respective pore. Subsequently, the radial distribution of adsorbates from these pore centres can be computed to provide adsorbate locations to discover, for example, whether adsorption is occurring at the pore walls or extending in a multi-layer fashion toward the centre of the pore.