Diagnostics and selection for linearity and interaction in calibration with pure and multicomponent spectra

In multicomponent near-infrared calibration, we look at some methods of selecting wavelengths so as to retain information unaffected by interactions. We also consider whether it is sensible to use ‘pure’ components alone where these are available, relying on Beerʹs law. Prediction diagnostics for anomalous future spectra are also displayed.