Independent component analysis and multivariate curve resolution to improve spectral interpretation of complex spectroscopic data sets: Application to infrared spectra of marine organic matter aggregates

The different abilities of these multivariate methods were briefly discussed. The influence of different pre-processing techniques (mean-centering, Pareto scaling, derivatives) on the decomposition results was also investigated. ICA and MCR-ALS deconvolution combined with appropriate preprocessing are capable to deal with complex IR data sets regarding separation of meaningful information from noise and its interpretation.