Shedding Light on Data Reconciliation Techniques Applied to Analytical Chemistry

Abstract

Historically, owing to the increase in processing capacity over the years, validation and adjustment of measurements have become imperative. In particular, concerning discussions related to data and results in analytical chemistry, there is always a need to improve their reliability. The data reconciliation technique has the objective of using measurement redundancies to obtain the best estimate of the true value and, consequently to minimize its uncertainty. Unfortunately, this powerful tool is less known and used by analytical chemists compared to other areas. This approach can be satisfactorily performed in decision-making procedures that focus on chemical analysis, chemometrics, biochemistry analysis, forensics, and environmental sciences, such as in a characterization study, regarding conformance or nonconformance with the specification, doubts related to the malfunctioning of meters and about the compatibility of test methods. This work discusses and sheds light on the importance of data reconciliation, including data reconciliation statistics and application of the technique, traditional data reconciliation in analytical chemistry, principal component analysis based on data reconciliation in analytical chemistry, and fuzzy data reconciliation in analytical chemistry.

Keywords:

• Chemical metrology
• data reconciliation
• detection of gross errors
• improvement of the accuracy
• minimization of the measurement uncertainty

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This study was financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior—Brasil (CAPES)—Finance Code 001.