Of the 5 journals that make a further recommendation for repository deposition of primary NMR data at the authors' own discretion, the four American Chemical Society (ACS) titles provide a description of FAIR file formats and the minimum information that constitutes well-structured raw data (FID files, acquisition and processing parameters), and metadata (spectrometer specifications, acquisition and processing software, and sample information). Two of the ACS journals, J. Org. Chem. and Organometallics, give instructions for preparing data files of Cartesian coordinates from computational studies, requiring that these are provided in '.XYZ' and '.MOL' formats.