Window consensus PCA for multiblock statistical process control: adaption to small and time‐dependent normal operating condition regions, illustrated by online high performance liquid chromatography of a three‐stage continuous process

A method for multiblock statistical process control is described, involving the computation of Q and D statistics both for individual blocks and for the overall process using window consensus principal components analysis (WCPCA). The approach overcomes two common problems. The first is a small normal operating conditions (NOC) region, which is done by determining the Q‐statistic limits and D statistics using leave‐one‐out (LOO) residuals and scores, rather than employing the residuals and scores of a single training set model obtained from the entire NOC region. The second overcomes the problem of temporal drift of the process and/or measurement technique by updating the NOC covariance matrix to adapt to normal process changes. The unifying multiblock statistical process control and relevant statistics are adapted to cope with these issues and are illustrated in this paper using CPCA as applied to online high performance liquid chromatography (HPLC) of a three‐stage continuous process. Copyright © 2010 John Wiley & Sons, Ltd.

[1]  J. Gower Generalized procrustes analysis , 1975 .

[2]  Richard G. Brereton,et al.  Chemometrics for Pattern Recognition , 2009 .

[3]  J. E. Jackson,et al.  Control Procedures for Residuals Associated With Principal Component Analysis , 1979 .

[4]  S. Joe Qin,et al.  Reconstruction-Based Fault Identification Using a Combined Index , 2001 .

[5]  M. Kenward,et al.  An Introduction to the Bootstrap , 2007 .

[6]  Peter A Vanrolleghem,et al.  Monitoring of a sequencing batch reactor using adaptive multiblock principal component analysis. , 2003, Biotechnology and bioengineering.

[7]  Theodora Kourti,et al.  Multivariate SPC Methods for Process and Product Monitoring , 1996 .

[8]  José Manuel Andrade,et al.  Procrustes rotation in analytical chemistry, a tutorial , 2004 .

[9]  Rasmus Bro,et al.  Automated alignment of chromatographic data , 2006 .

[10]  S. Wold Cross-Validatory Estimation of the Number of Components in Factor and Principal Components Models , 1978 .

[11]  A. R. Crathorne,et al.  Economic Control of Quality of Manufactured Product. , 1933 .

[12]  H. Hotelling Multivariate Quality Control-illustrated by the air testing of sample bombsights , 1947 .

[13]  Smilde,et al.  Spectroscopic monitoring of batch reactions for on-line fault detection and diagnosis , 2000, Analytical chemistry.

[14]  Frank B. Alt,et al.  17 Multivariate process control , 1988 .

[15]  R. Brereton,et al.  Dynamic analysis of on-line high-performance liquid chromatography for multivariate statistical process control. , 2008, Journal of chromatography. A.

[16]  S. Joe Qin,et al.  Statistical process monitoring: basics and beyond , 2003 .

[17]  J. Macgregor,et al.  Analysis of multiblock and hierarchical PCA and PLS models , 1998 .

[18]  S. de Jong,et al.  A framework for sequential multiblock component methods , 2003 .

[19]  J. Macgregor,et al.  Monitoring batch processes using multiway principal component analysis , 1994 .

[20]  Richard G Brereton,et al.  On-line HPLC combined with multivariate statistical process control for the monitoring of reactions. , 2007, Analytica chimica acta.

[21]  D. L. Massart,et al.  Decision criteria for soft independent modelling of class analogy applied to near infrared data , 1999 .

[22]  R. Brereton,et al.  One class classifiers for process monitoring illustrated by the application to online HPLC of a continuous process , 2010 .

[23]  A. Smilde,et al.  The effect of the size of the training set and number of principal components on the false alarm rate in statistical process monitoring , 2004 .

[24]  Peter A Vanrolleghem,et al.  Adaptive Consensus Principal Component Analysis for On-Line Batch Process Monitoring , 2004, Environmental monitoring and assessment.

[25]  J. S. Urban Hjorth,et al.  Computer Intensive Statistical Methods: Validation, Model Selection, and Bootstrap , 1993 .

[26]  J. Edward Jackson,et al.  Quality Control Methods for Several Related Variables , 1959 .

[27]  Age K. Smilde,et al.  Performance assessment and improvement of control charts for statistical batch process monitoring , 2006 .

[28]  A. Smilde,et al.  Multivariate statistical process control of batch processes based on three-way models , 2000 .

[29]  Age K. Smilde,et al.  Generalized contribution plots in multivariate statistical process monitoring , 2000 .

[30]  John F. MacGregor,et al.  Multivariate SPC charts for monitoring batch processes , 1995 .

[31]  Nola D. Tracy,et al.  Multivariate Control Charts for Individual Observations , 1992 .

[32]  Sila Kittiwachana,et al.  Multilevel simultaneous component analysis for fault detection in multicampaign process monitoring: application to on-line high performance liquid chromatography of a continuous process. , 2009, The Analyst.

[33]  S.J. Qin,et al.  Multiblock principal component analysis based on a combined index for semiconductor fault detection and diagnosis , 2006, IEEE Transactions on Semiconductor Manufacturing.

[34]  Theodora Kourti,et al.  Process analysis, monitoring and diagnosis, using multivariate projection methods , 1995 .

[35]  Hongwei Tong,et al.  Detection of gross erros in data reconciliation by principal component analysis , 1995 .

[36]  Jeeu Fong Sze Multivariate process control , 2011 .

[37]  Michael J. Piovoso,et al.  On unifying multiblock analysis with application to decentralized process monitoring , 2001 .

[38]  Tordis E. Morud,et al.  Multivariate statistical process control; example from the chemical process industry , 1996 .

[39]  S. D. Jong,et al.  Multivariate statistical process control in chromatography , 1997 .

[40]  H. J. Ramaker,et al.  Statistical batch process monitoring , 2004 .

[41]  John F. MacGregor,et al.  Process monitoring and diagnosis by multiblock PLS methods , 1994 .

[42]  B. W. Wright,et al.  High-speed peak matching algorithm for retention time alignment of gas chromatographic data for chemometric analysis. , 2003, Journal of chromatography. A.