Here, our spectral space, X, is composed of possible compounds present within an interval, which is readily available from the DFT-generated candidate library. The probabilities, p(x), of identifying a candidate compound in a region of an NMR spectrum is defined as the ratio of compounds predicted to appear in that interval to the total number of compounds in the candidate library. Intervals are then ranked by their entropy to determine the order in which these intervals are fit, with high information entropy intervals fit first. In situations in which multiple intervals have the same entropy, the coincident intervals are ordered from furthest downfield to upfield, as is a common strategy when analyzing spectra manually.