Figure 2:
A 300×5 matrix for representing an experimental and theoretical envelope pair with a monoisotopic m/z value of x. The m/z interval [x-0.1, x+2.9] is divided into 300 bins of size 0.01, and each peak is assigned to a bin. When a bin contains experimental peaks, the feature Ie is computed based on the intensity of the highest experimental peak in the bin. When a bin contains a theoretical peak, the features It, Sx, and Dy are computed based on the theoretical peak and its matched experimental peak. Finally, the feature RE is added to all bins with theoretical peaks.