Table 1.

List of individual scores used to compute the composite score for each transferred ion

Score	Explanation
Log10(intensity)	Log-transformed intensity of a traced peak. The intensity can be from an area (without ion mobility) or a volume (with ion mobility).
Log10(KL)	Log-transformed Kullback-Leibler divergence of an experimental isotope distribution and the theoretical isotope distribution. 0, +1, and +2 isotope peaks are used. The absolute value is also square root transformed.
Abs(ppm)	Absolute value of the mass error (in ppm) from a traced peak. The value is also square root transformed.
IM diff	Ion mobility difference between an acceptor ion and its donor ion. The value is also square root transformed.
RT diff	Retention time difference between an acceptor ion and its donor ion. The value is also square root transformed.