The morphological score and its application to chemical rank determination

✍ Scribed by Hailin Shen; Laila Stordrange; Rolf Manne; Olav M. Kvalheim; Yizeng Liang

• Publisher: Elsevier Science
• Year: 2000
• Tongue: English
• Weight: 286 KB
• Volume: 51
• Category: Article
• ISSN: 0169-7439
• DOI: 10.1016/s0169-7439(99)00066-0

✦ Synopsis

Most spectra with structural information are smooth. Making use of this feature, a new procedure is proposed for automatic chemical rank determination. In order to avoid accumulation of noise, key spectra instead of the full matrix are ana-Ž . lyzed in the procedure. A simplified morphological factor, morphological score MS , is proposed. The noise level of morphological analysis is established with the help of F-test. The proposed procedure was successfully applied in the study of Ž . self-association behavior of alcohol. Results show that two classes of aggregates contribute to near infrared NIR spectra besides the monomer. Data sets produced by other techniques were also tested.