239 of the 240 articles produced data, but only 47 shared any primary data at all (Figure ). Of these, most (39) shared 'MODEL' data derived from in silico modelling -i.e., Cartesian coordinates associated with modelled structures in thermochemical calculations or binding studies (Figure ). 72% of these coordinates were given in PDF format, in SI files, and only 21% in standard '.XYZ' format.