Closed mriffle closed 1 year ago
It does indeed look a bit counter-intuitive, but both formulas actually give the same result if you bring the charge
within the brackets.
calc_mass = (calc_mass + charge * self.proton) / charge
= (calc_mass / charge) + ((charge * self.proton) / charge)
= (calc_mass / charge) + self.proton
Aha, thanks.
Not sure if I'm misreading, but I think I found a bug in the calculation of m/z of charged peptides.