Classifion is chemometrics software for classification of substances using their mass-spectra.
The used discriminant analysis is based on Principal Component Analysis with Mahalanobis Distance (PCA-MD) - part of multivariate analysis.
Classifion has been tested using mass-spectra, but there is no limitation to be used with any other kind of characteristic spectra (e.g. VIS, IR, NMR).
In latter case the x-values of the spec must be the detector channel number.
Where does it sit...
Almost every mass-spectrometry lab is equipped with spectral-library search program with tens of thousands of spectra of pure compounds.
The problems begin when you have very complex substances or using mass-spec methods different from those used in the spec-libraries.
In some cases you don't need to know what exactly is in the sample, but simply does it belong to a class of samples you already measured.
In all these cases you need to use classification software.
But most of them are general purposed and require certain knowledge of the statistical methods used.
Here Classifion sits, offering you a classification with specialized for mass-spectrometry environment and automation allowing you to "avoid the depths of contemporary statistics", so you can concentrate on your immediate work.