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To run the script: python q3.py [candidate proteins file] [MS data.mgf file] Script creates file idealSpectrums.txt that contains the m/z values of the ideal spectrums generated for the two candidate peptides within the tolerated mass accuracy range. Output of script: Parent mass: [mass of precursor ion] [Candidate peptide] [0123456789] = sum of (m/z * normed intensity value) for all m/z values explained by ideal spectrum [0123456789] = sum of explained m/z values [0123456789] = sum of explained normed intensity values [0123456789] = # explained m/z values / total # m/z values
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