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Jerome Workman Jr. serves on the Editorial Advisory Board of Spectroscopy and is currently with Unity Scientific LLC. He is also an adjunct professor at Liberty University and U.S. National University. He can be reached at jworkman04@gsb.columbia.edu.

Howard Mark serves on the Editorial Advisory Board of 

 and runs a consulting service, Mark Electronics that provides assistance, training, and consultation in near-IR spectroscopy as well as custom hardware and software design and development.

Articles

The second in a two-part series highlighting key explanatory or tutorial references for each of 29 chemometric methods.

Survey of Key Descriptive References for Chemometric Methods Used for Spectroscopy: Part II

Igor K. Lednev at the University at Albany SUNY in New York explains advances in forensic analysis using a variety of chemometrics techniques to classify ATR FT-IR and Raman spectra of bodily fluids.

Forensics Applications of Raman Spectroscopy, ATR FT-IR, and Chemometrics

The carefully selected literature references in this curated set describe the application of 29 major chemometric methods used for analyzing molecular spectroscopy data.

Survey of Key Descriptive References for Chemometric Methods Used for Spectroscopy: Part I

L. Scott Ramos will receive the 2021 Eastern Analytical Symposium (EAS) Award for Outstanding Achievements in Chemometrics at the EAS Symposium taking place November 15–17, 2021, in Plainsboro, New Jersey. 

L. Scott Ramos Wins 2021 EAS Award for Outstanding Achievements in Chemometrics

R.C. McDowall is the principle of McDowall Consulting and director of R.D. McDowall Limited, and "Questions of Quality" column editor for LCGC Europe, Spectroscopy's sister magazine.

“SneakerNet,” or the manual transfer of data using a disk or USB stick from one computer system to another, should be long dead, but this noncompliant transfer process still survives.

Consigning SneakerNet to the Graveyard of Technology

The details of applying deep learning algorithms and FT-IR spectra are described for classification research using the spectra of strawberries as an example.

Combining the WGAN and ResNeXt Networks to Achieve Data Augmentation and Classification of the FT-IR Spectra of Strawberries

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.

Why Does -1 x -1 = 1?

We explore how different algorithms and different numbers of factors affect the results.

Classical Least Squares (CLS), Part 3: Expanding the Analysis to Include Concentration Information on Principal Component Regression (PCR) and Partial Least Squares (PLS) Algorithms

Spreadsheets are often used to perform GMP-related calculations, but can lead to serious problems and unnecessary risk. We explain why the use of spreadsheets is heavily discouraged in a regulated laboratory environment.

Spreadsheets: A Sound Foundation for a Lack of Data Integrity?

We provide a scorecard of chemometric techniques used in spectroscopy. The tables and lists of reference sources given here provide an indispensable resource for anyone seeking guidance on understanding chemometric methods or choosing the most suitable approach for a given analysis problem.

Data Analysis, Statistics, and Chemometrics