A method of generating a library of reference spectra includes storing an optical model for a layer stack having at a plurality of layers, receiving user input identifying a set of one or more refractive index functions and a set of one or more extinction coefficient functions a first layer from the plurality of layers, wherein the set of one or more refractive index functions includes a plurality of different refractive index functions or the set of one or more extinction coefficient functions includes a plurality of different extinction coefficient functions, and for each combination of a refractive index function from the set of refractive index functions and an extinction coefficient function from the set of extinction coefficient functions, calculating a reference spectrum using the optical model based on the refractive index function, the extinction coefficient function and a first thickness of the first layer.