THE APPLICATION OF CHEMOMETRIC AND STATISTICAL ANALYSIS TECHNIQUES FOR X-RAY DIFFRACTION DATA: QUANTITATIVE ANALYSIS AND LOT RELEASE
Pharmalytical Summit 2021: A Virtual Forum presented by Rigaku is happy to present Simon Bates, Ph.D.
Traditionally, X-ray powder diffraction has used peak based methods for quantitative analysis. Peak based quantitative methods often require extensive calibration and can be inherently flawed for phases that exhibit preferred orientation. More recently, whole pattern fitting using Rietveld type analysis has promised a standardless approach to quantitative analysis and an ability to model preferred orientation. But these advantages often come with increased instability for limit test type methods. In this presentation, a novel Chemometric and total diffraction approach to standardless quantitative analysis and robust lot release methods will be discussed.