Erstellung und Validierung einer kombinierten NIR/Raman-Bibliothek zur Identitätskontrolle organischer und anorganischer Substanzen

Due to legal requests in future the identity control of products will not only be required in pharmaceutical industry but also in chemical industry. Therefore the demands on the analytical methods are very high. The company Merck realized an identity control tool by combining NIR and Raman spectroscopy. This Tool is suited for identification of a broad range of organic and inorganic substances. In this work different chemometric methods and data pretreatments were tested. The NIR and the Raman library have been optimized and the validation results visualized. Alternatives as binary coding and wavelet transformation, which lead to data compression at the same time, were tested


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