Chemometrics for process analytical technologies - General provisions, and methods for univariate statistics and chemometric processing of data

Chemometrics for process analytical technologies - General provisions, and methods for univariate statistics and chemometric processing of data

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What is PD IEC TR 62829-1 - Chemometrics for process analytical technologies about?  

PD IEC TR 62829-1 is a Technical Report, covers 

  • A study into the pre-requisites of chemometric (exploratory) data analysis 
  • An overview of common data analysis procedures for univariate, bivariate and multivariate data analysis 
  • Explanations of the basic principles and major application areas of the different methods) 
  • Some recommendations on the selection of an appropriate data analysis strategy 

These recommendations not covered earlier by other guidance documents on the topic are complemented by some advice on the validation of commercial (at the site of installation) and tailored software for process analytical purposes. Recommendations are given on available reference data sets (Annex B) for benchmarking of software implementing the data analysis methods covered (if available). An application example is given. 

Who is PD IEC TR 62829-1 - Chemometrics for process analytical technologies for? 

PD IEC TR 62829-1 on Chemometrics for process analytical technologies is useful for: 

  • The pharmaceutical industry 
  • Quality management 
  • Process monitoring, optimization, and control 
  • Data analysts  
  • Statistical/chemometric sampling strategists  

Why should you use PD IEC TR 62829-1 - Chemometrics for process analytical technologies 

Chemometrics is a rapidly developing subject. It was thus felt that a report offering guidance on its application to process analytical applications would both be helpful to all users of such technology and would stimulate specialists in chemometrics to work with users and developers of this technology. PD IEC TR 62829-1 provides a useful overview and a brief bibliography that enables interested parties to learn about and apply chemometrics in the most useful and appropriate ways for their circumstances. PD IEC TR 62829-1 is not prescriptive but constructively critical and seeks to encourage good practice and a wider appreciation. 

PD IEC TR 62829-1 aims at encouraging new research and development, as well as innovation, in applications of chemometrics for process analytical applications by highlighting areas to which such activities might usefully be directed. Nowadays, the use of chemometric data analysis methods is widespread. Applications are in fields like 

  • Design of statistical/chemometric sampling strategies, design of experiments, design of observational studies 
  • Design of data collection (including signal processing) protocols, data validation methods and database management (including metadata management) 
  • Data analysis and interpretation, not only in the use of multivariate (many variables) methods but also univariate (one variable) and bivariate (two-variable) methods 
  • Chemical process and property modelling 
  • Guiding decision analysis and designing decision analysis methods/protocols in the process 
  • Control and optimization 
  • Method and instrumentation performance validation (Annex A) and calibration 

Since 2010, techniques including both commercial and other software have become available to construct a wide variety of useful multivariate control charts that sometimes reveal "out-of-control" situations not apparent using conventional univariate control charts. Due to the applicability of chemometric methods to all fields of measurement and testing, and using chemometric techniques in process analytical applications, it was a necessity to have guidance on the available methods and their appropriate choice, that is fulfilled by PD IEC TR 62829-1