Crystallographic Methods for Structural Determination
A Complete Pedagogical Guide from Data Collection to Structure Validation
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This comprehensive book offers an in-depth exploration of the essential methodologies in single-crystal X-ray diffraction (SCXRD) and structural crystallography. It provides a clear, step-by-step pathway from the acquisition of raw diffraction data to the final validation of refined crystal structures. Beginning with the principles of data collection and reflection indexing, the book guides readers through the intricacies of data treatment, quality assessment, and symmetry determination. Special emphasis is placed on best practices for applying space-group analysis, refining atomic models, and...
This comprehensive book offers an in-depth exploration of the essential methodologies in single-crystal X-ray diffraction (SCXRD) and structural crystallography. It provides a clear, step-by-step pathway from the acquisition of raw diffraction data to the final validation of refined crystal structures. Beginning with the principles of data collection and reflection indexing, the book guides readers through the intricacies of data treatment, quality assessment, and symmetry determination. Special emphasis is placed on best practices for applying space-group analysis, refining atomic models, and ensuring the reliability of structural results.Designed to serve both as a teaching tool and a reference work, this volume is intended for graduate students, researchers, and professionals in crystallography, materials science, and molecular sciences.
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