Compare Prediction of Raw and Averaged Spectra – finding Outliers / Vergleich der Vorhersage von Roh- und gemittelten Spektren – Ausreißer finden / Confrontare la previsione degli spettri grezzi e medi – trovare i valori erratici 1. Prediction of Raw spectra2. Prediction of Averaged Spectra - compare3. finding Outliers