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