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© 2023 MJH Life Sciences and Spectroscopy Online. All rights reserved.
© 2023 MJH Life Sciences™ and Spectroscopy Online. All rights reserved.
October 01, 2023
There is a variation of the MLR calibration algorithm that can reduce sensitivity to repacked sample measurements. We explore that MLR method here in detail.
June 01, 2023
A sample library of selected references discussing the application of artificial intelligence (AI) in analytical chemistry and molecular spectroscopy is presented.
February 01, 2023
Are you intrigued by artificial intelligence, but unsure what it really means for analytical chemistry? Read on.
October 01, 2022
The past decision to use binary representation in computer architectures affects the results of chemometric-based outputs, especially if different data values are used.
July 01, 2022
We examine variations of the multiple linear regression (MLR) algorithm confer special properties on the model that the algorithm produces and critique the use of derivatives in calibration models.
February 01, 2022
Raw data produced by an NIR instrument undergoes some sort of processing, or transformation, to make them easier to use. In this series, we explore options for that data transformation, starting with multiple linear regression (MLR).
October 01, 2021
The second in a two-part series highlighting key explanatory or tutorial references for each of 29 chemometric methods.
June 01, 2021
The carefully selected literature references in this curated set describe the application of 29 major chemometric methods used for analyzing molecular spectroscopy data.
February 01, 2021
Mathematics is a formal logic system, perhaps the ultimate formal logic system. Here we describe the elegance of the foundations of the mathematics that chemometrics is based on.
October 01, 2020
We explore how different algorithms and different numbers of factors affect the results.