Estimating probabilistic confidence for mixture components identified using a spectral search algorithm.

Providing a confidence measure associated with the substance(s) identified in an unknown mixture by a spectral search technique is critical for non-expert users of devices and techniques based on spectroscopy. In this work, a technique for estimating probabilities associated with substances identified by spectral searching is described. In the proposed approach, a mixture analysis algorithm processes the spectrum of an unknown sample using a spectral library to generate a list of substances that may be present in the sample.