Get the Most from Pharmaceutical X-Ray Powder Diffraction Data Using Indexing

X-ray powder diffraction data is routinely collected in the pharmaceutical industry in support of solid form development, regulatory submissions, patent applications and lot release. Much of the information encoded in diffraction patterns goes untapped because the data is treated merely as a qualitative fingerprint of the specimen. Quantitative interpretation methods, including indexing, may be used to glean additional information from diffraction data.

Indexing gets its name from the assignment of Miller index labels (hkl) to each of the peaks in a diffraction pattern. The size and shape of the crystallographic unit cell is determined as part of the indexing procedure, which is often more useful than the Miller indices themselves. Applications of indexing include pure crystalline phase identification, stoichiometry estimation, and variable hydrate analysis, among others. Although indexing software is available, successful indexing requires good quality data and a skilled analyst to differentiate good solutions from false positives.

Join this webinar to learn why indexing is a useful tool to glean additional information from X-ray powder diffraction data. The expert speaker will discuss the applications of indexing, including demonstrating pure crystalline phase identification, stoichiometry estimation and variable hydrate analysis. Advice for necessary data quality and analyst skill requirements for successful indexing will be provided.

Register now for this free webinar to see how to get the most from X-ray powder diffraction data using indexing.

Speaker

Dr. Richard McClurg, PhD, Senior Research Scientist, Curia (formerly AMRI)

Dr. Richard McClurg is a group leader in Materials Science at Curia (formerly AMRI) West Lafayette. His group is responsible for indexing of powder diffraction patterns and single-crystal structure elucidation. He is the inventor of the TRIADS^® indexing algorithm routinely used at AMRI. He has served as an expert witness for several Hatch-Waxman (pharmaceutical patent) cases and a Markman hearing. Dr. McClurg holds a PhD in Chemical Engineering from the California Institute of Technology (CalTech). His previous position was as an assistant professor of Chemical Engineering and Materials Science at the University of Minnesota. His research interests include the kinetics and thermodynamics of phase transformations, pharmaceutical crystal structures and stability and statistical methods for robust and efficient validated analytical methods.

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