This software pack, together with the figures it produces, presents supplementary material in support of the publication J. De Keyser, F. Dhooghe, K. Altwegg, M. Rubin, N. Hänni, S. A. Fuselier, J.-J. Berthelier, E. Neefs. Mass calibration of Rosetta’s ROSINA/DFMS mass spectrometer. International Journal of Mass Spectrometry, 2024. This data set holds MATLAB software, in particular routines for computing the mass calibration of mass spectra obtained with the DFMS mass spectrometer onboard the European Space Agency’s Rosetta spacecraft, for the neutral high-resolution modes and commanded mass-over-charge 13-69 Da/e. The software was developed with MATLAB R2022a. This data set also holds the output files and the figures obtained by running that program, as well as a mass calibration file that can be used by DFMS data analysis programs.