Overall, 63% of the shared primary data were included in an SI file rather than in a data file. For data types that were provided in non-PDF file formats, XYZ coordinates files are the most common, and all were published in Organometallics and Eur. J. Org. Chem, where XYZ files for computationally derived structures are mandated (Figure ). Of the 223 research papers to report NMR data, only 3 shared primary data (as '.MNOVA' or '.JDX' files) with none providing raw FID data despite encouragement from the journal guidelines. FIDs are accessible from the MNOVA and JDX files, but access requires additional software. No primary mass spectrometry data was shared.