Patent Document ID: 20110153226
Application ID: 12641705
Patent Flag: 0

Claim One:
1. A method of spectral searching an unknown mixture, the method comprising: obtaining one or more candidate mixture combinations by comparing the spectrum of the unknown mixture with the spectrum of each of a first plurality of library compounds; generating a model for each of the candidate mixture combinations based, at least in part, on a modeling metric; computing a residual spectrum corresponding to each of the candidate mixture combinations by removing the spectrum of each of the compounds of the candidate mixture combination from the spectrum of the unknown mixture; identifying one or more potential compounds by comparing each residual spectrum with the spectrum of each of a second plurality of library compounds; adding the potential compounds to the candidate mixture combinations to generate an updated list of the candidate mixture combinations; and repeating the generating of the model, computing of the residual spectrum, identifying of the potential compounds, and adding of the potential compounds until a first termination condition is satisfied.