The OPLS methodology for analysis of multi-block batch process data

• Published in: Journal of chemometrics Vol. 20; no. 8-10; pp. 362 - 369
• Main Authors: Gabrielsson, Jon, Jonsson, Hans, Airiau, Christian, Schmidt, Bernd, Escott, Richard, Trygg, Johan
• Format: Journal Article
• Language: English
• Published: Chichester, UK John Wiley & Sons, Ltd 01.08.2006; Wiley Subscription Services, Inc
• Subjects: batch process; Batch processes; Batch processing; Chemistry; data fusion; Mathematical analysis; Mathematical models; multi-block; O2PLS; OPLS; PAT; process understanding
• ISSN: 0886-9383; 1099-128X
• DOI: 10.1002/cem.1009

With increasing availability of different process analysers multiple data sources are commonly available and this will impose new challenges and enable new types of investigations. The ability to separate joint, complementary and redundant information in multiple block data will be of increasing importance. In this study data from a batch mini plant were collected and O2PLS was implemented to facilitate a combined analysis of spectroscopic and process data. This enables assessment of both the joint and complementary variations in the respective data sets. The different types of variation that were separated were then modelled together to evaluate their individual correlation to a time response. By combining data of different origin an uncomplicated summary of the variation was accomplished and a deeper understanding of process interactions was gained. The analysis of separated variation with a response variable proved useful for verifying the supposed correlation between the joint variation and time. Copyright © 2007 John Wiley & Sons, Ltd.