One can expect that in the parameterization of a force-field, transferability would be tied to the breadth of the reference data. In this regard, we consider some general statistics of the full dataset in Figure . In terms of the elemental makeup of our database, since all of the chosen crystal structures are organic, all molecules contain carbon atoms and almost all contain hydrogen atoms (polarised or otherwise). Conversely, halogens and sulphurs are relatively scarce within the dataset, but this is to be expected. To assess the space group distribution within our database, we utilize the CCDC's Python API to determine the relevant statistics by surveying the CSD. In contrast to the statistics reported by the CCDC , our statistics reflect the distribution for solely organic crystals (as flagged by the Python API). Out of the 1,304,168 entries recorded in the CSD at the time of assessment, only 585,654 entries (about 44.9%) were determined to be organic crystals with valid space groups (this includes repeated entries describing the same polymorphic forms). Although our database correctly reflects P 2 1 /c as the most frequently observed space group, it is evident that the composition of space groups in our database does not match well with the composition determined from the CSD. In particular the C2/c should be the fifth most frequently observed space group, yet in our database it has little to no representation. This is primarily because many structures originally in the C2/c space group had fractional Z ′ number. Unfortunately, in its current implementation, CSO-RM (and by extension CrystalEstimator) can only accommodate integer Z ′ values. As such, it was necessary to reduce the symmetry of these structures to achieve the required Z ′ . Finally, by nature of our selection process, the database has a clear bias towards small molecules (with < 20 atoms), and most of the selected compounds have between 5-7 distinct atomic environments (as defined in Table ). The full dataset contains a total of 22 polymorphic pairs and 3 polymorphic triplets.