Multivariate calibration: What is in chemometrics for the analytical chemist? |
| |
Authors: | Rasmus Bro |
| |
Institution: | Department of Dairy and Food Science, The Royal Veterinary and Agricultural University, Rolighedsvej 30, DK-1958, Frederiksberg, Denmark |
| |
Abstract: | Chemometrics has been used for some 30 years but there is still need for disseminating the potential benefits to a wider audience. In this paper, we claim that proper analytical chemistry (1) must in fact incorporate a chemometric approach and (2) that there are several significant advantages of doing so. In order to explain this, an indirect route will be taken, where the most important benefits of chemometric methods are discussed using small illustrative examples. Emphasis will be on multivariate data analysis (for example calibration), whereas other parts of chemometrics such as experimental design will not be treated here. Four distinct aspects are treated in detail: noise reduction; handling of interferents; the exploratory aspect and the possible outlier control. Additionally, some new developments in chemometrics are described. |
| |
Keywords: | Author Keywords: Multivariate data analysis Exploratory Interferents Multi-way analysis |
本文献已被 ScienceDirect 等数据库收录! |
|