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Direct methods are, at present, applied to a large variety of cases: X-ray, neutron or electron data; single crystal and powder data; small molecules and macromolecules. While direct methods solved in practice the phase problem for small molecules, their application to macromolecules is recent and still undergoing strong development. The fundamentals of the methods are described: in particular it is shown how the methods can be optimized for powder, neutron or electron data, and how they can be integrated with isomorphous replacement, molecular replacement and anomalous dispersion techniques. Maximum Entropy methods are also described and discussed. Sets of test structures are used to verify, throughout the various chapters, the mathematical techniques there described and to provide practical examples of applications. This book will appeal to a wide variety of readers - offering both a comprehensive description of direct methods in crystallography and an invaluable reference tool.
This text investigates the mathematical and physical principles of direct methods used to solve the phase problem in crystallography across various data types. Carmelo Giacovazzo, a prominent researcher in the field, provides a rigorous examination of how these methods function for X-ray, neutron, and electron diffraction data. The book synthesizes theoretical foundations with practical applications, demonstrating how direct methods integrate with techniques like isomorphous replacement and anomalous dispersion to determine molecular structures.
What You Will Find
Experts recognize this monograph as a foundational resource for understanding the evolution and application of direct methods in structural science. Readers frequently note the high level of mathematical density, making it a primary reference for researchers and advanced students in crystallography.
Page Count:
792
Publication Date:
1999-02-18
Publisher:
International Union of Crystallography
ISBN-10:
0198500726
ISBN-13:
9780198500728
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