Quantitative matching of crystal structures to experimental powder diffractograms
R. Alex Mayo, Katherine M. Marczenko, Erin R. Johnson
Abstract
preferred orientation), and comparison with the FIDEL method showcases the advantage of VC-xPWDF provided the experimental powder diffractogram can be indexed. The VC-xPWDF method should allow rapid identification of new polymorphs from solid-form screening studies, without requiring single-crystal analysis.
Topics & Concepts
Matching (statistics)Materials scienceCrystallographyCrystal (programming language)Crystal structureBiological systemComputer scienceChemistryMathematicsStatisticsProgramming languageBiologyX-ray Diffraction in CrystallographyCrystallography and molecular interactionsCrystallization and Solubility Studies