where the set 𝒂 = {𝑎 & , 𝑎 ' , … , 𝑎 ( ! } are the intensities associated with the 𝑛 ) > 0 questionable neutral loss masses, 𝜖 % is the user prescribed maximum intensity tolerated for an illogical peak (e.g., 1% of the base peak), and 𝑎 * + " is the intensity of the potential molecular ion. Employing the sigmoid function