This article is the second in a series that lists four key explanatory or tutorial references for each of the 29 chemometric methods previously described. The references selected are particularly helpful to explain the use of each method for spectroscopic data. Also included are common computer software platforms used for chemometrics.
In the August 2020 and June 2021 “Chemometrics in Spectroscopy” columns, we described 29 key common chemometric methods used by spectroscopists, and selected corresponding literature reference numbers using a set of tables. The first article introduced the chemometric methods. The second article introduced a two-part series with expanded references, included the following: Part I includes Tables I and II with references, and Part II includes Tables III through V with corresponding selected literature references. The five tables mentioned and the chemometric methods they cover are listed below:
In this article, a set of four references are given in Tables III and IV for each of 15 chemometric methods (numbers 15–29), and five references are given for each computer software platform introduced in Table V (method number 30). This article lists the corresponding references from 69 to 148. The method numbers and references for the two-part series are sequential from methods 1–30, which correspond to references 1–148, respectively. Thus, the two-part reference article series can be viewed as a single body of work.
For Part II of the series, Table III shows the variety of references for quantitative (calibration) methods used to take raw or preprocessed data and compute predictive calibration models for quantitative determination of physical or chemical parameters in a data set. Table IV demonstrates the references for the qualitative (classification) methods used to take raw or preprocessed data and compute predictive calibration models for classification of different groups or types of samples or of physical or chemical parameters in a data set. Table V includes references for using the most common programming languages or platforms for general data interpretation using chemometrics or other statistical analysis methods.
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