Moving to analyse the CSD database of crystal structures, in the present study we employed version 542 (2020.3), released in February 2021. Its MOF subset includes 105 922 structures, 8034 of which are assigned one or more conventional names (such as CuBTC, MOF-5, or UiO-66). Analogous to isotherms in the NIST-ISODB, one publication may be associated with multiple variants of a MOF crystal structure with the same name in the CSD. For example, the in-situ study by Breogán Pato-Doldán et al. reported 1853 crystallographic information files (CIFs) of different MOF-74 analogues at various CO 2 loading conditions. In the absence of an automated method for selecting a representative structure, this selection eventually requires manual inspection. In order to limit the effort involved, we exclude CSD entries if there are more than three other entries of the same conventional name from the same paper. The reasoning behind keeping three structures instead of just one is to be able to evaluate the uncertainty on the computed pore volume from different measurements of the crystal structures.