Atomic Spectroscopy

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Unsolved Problems in Spectroscopy - Part 8
Beyond Linearity: Identifying and Managing Nonlinear Effects in Spectroscopic Data

September 24th 2025

This tutorial explores the challenges posed by nonlinearities in spectroscopic calibration models, including physical origins, detection strategies, and correction approaches. Linear regression methods such as partial least squares (PLS) dominate chemometrics, but real-world data often violate linear assumptions due to Beer–Lambert law deviations, scattering, and instrumental artifacts. We examine extensions beyond linearity, including polynomial regression, kernel partial least squares (K-PLS), Gaussian process regression (GPR), and artificial neural networks (ANNs). Equations are provided in full matrix notation for clarity. Practical applications across near-infrared (NIR), mid-infrared (MIR), Raman, and atomic spectroscopies are discussed, and future research directions are outlined with emphasis on hybrid models that integrate physical and statistical knowledge.

Unsolved Problems in Spectroscopy - Part 7
Data Fusion in Action: Integrating Different Vibrational and Atomic Spectroscopy Data

September 16th 2025

Lester W. Strock
Lester W. Strock: Pioneer of Crystal Chemistry, Geochemistry, and Spectroscopic Analysis

September 1st 2025

Unsolved Problems in Spectroscopy - Part 2
Specificity and the Net Analyte Signal in Full-Spectrum Analysis

July 21st 2025

Closeup of shiny nickel mineral ore in rough round shape with silver color, capturing the texture and shine with blurred background, blank space on the side for caption or design elements. Generated with AI. | Image Credit: © Your Hand Please - stock.adobe.com
New Study Expands Nickel Autoionization Spectra to Advance Laser Isotope Separation Technologies

July 17th 2025

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