1) locate all PDFs within a given folder 2) locate and extract all accurate mass data from each PDF 3) for each measurement, recalculate the exact mass of the measured ion 4) calculate deviations of measured, calculated and recalculated masses (in ppm) 5) print a one-line analysis of each measurement highlighting unusual deviations 6) in cases of internal inconsistencies, provide a plausible explanation or, if possible, a solution to the problem 7) create a summary for all files investigated Before discussing the results of the automated screening, it is important to note that the Python script can only check for internal consistency, i.e. it is beyond the scope of this analysis to verify whether a molecular formula corresponds to the chemical structure. In addition, the conventions for reporting HRMS measurements in experimental sections need to be addressed. These vary from journal to journal in terms of acceptable deviations and the presentation of results. The Journal of Organic Chemistry's author guidelines state that for HRMS measurements, "The reported molecular formulas and Calcd values should include any added atoms (usually H or Na). The ionization method and mass analyzer type (for example, Q-TOF, magnetic sector, or ion trap) should be reported. The ACS Guide to Scholarly Communication format for reporting accurate mass data is: HRMS (ESI/Q-TOF) m/z: [M + Na] + Calcd for C13H17NO3Na 258.1101; Found 258.1074."