Sent on behalf of Alison Bowker, Oxford University Press
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Lachlan.
===============
Book: Direct Phasing in Crystallography Fundamentals and Applications
Carmelo Giacovazzo,
Professor of Mineralogy, University of Bari, Italy
A useful reference text for the daily work of professional
crystallographers
A multipurpose introduction to the topic for people interested
in fundamental crystallography
Contains a wide source of references for further reading
An accessible text for teaching the basics of direct methods
A source of suggestions for future research work
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. The first three chapters can be
considered as an introduction to the field, with sufficient
material to constitute a university course and for allowing the
expert use of most direct methods programs. Subsequent chapters
are aimed at graduate students and working crystallographers.
Basic results are described and discussed in the main body of
the text, while the appendices compliment these with in depth
mathematical details. The quoted literature is extremely wide
and the interested reader can find suggestions for future work
and further reading throughout the book.
Contents: Wilson statistics; About pseudosymmetries; Fourier
series of representation; A modified Wilson plot procedure;
Structure invariants and semi-invariants and the origin problem;
Triplet invariant estimation and classical direct phasing
procedures; Other multi-solution methods; Direct methods and
real space properties; Direct methods and Patterson map
properties: additional approaches; Estimating structures semi-
invariants from Harker sections; Patterson deconvolution
methods; The method of joint probability distributions; P(E) and
the saddle point method; Representations of structure invariants
and semi-invariants; Two algebraic propositions; The
probabilistic estimation of triplet invariants; The
probabilistic estimation of quartet invariants; Mathematical
derivation of the phase relationship; Mathematical derivation of
the sign relationship; Special quartets; The probabilistic
estimation of quintet invariants; The probabilistic estimation
of 1- and 2- phase structure semi-invariants; Some mathematical
details about the (1 estimates; Probabilistic determinantal
approaches; Phasing neutron and electron data; n 12.AAbout the
elastic scattering of electrons: the kinematical approximation;
About HREM image formation; Direct phasing from powder data;
Macromolecular crystallography techniques and traditional direct
methods; Crick and Magdoff relation; Protein phase estimate
incorporating the treatment of errors; Solvent flattening; About
Fourier synthesis of large use in macromolecular
crystallography; Solvent content according to Matthews; Ab
initio calculation of low-resolution envelopes; The integration
of direct methods with isomorphous replacement techniques;
Karle's Algebraic rule Riso; About local scaling; The
integration of direct methods with anomalous dispersion
techniques; Probabilistic treatment of the errors in the SIRAS
case; Coefficients in the distribution; The maximal SAS
principle; Molecular replacement techniques and direct methods.
International Union of Crystallography Monographs on
Crystallography No.8
0-19-850072-6 Hardback GBP 75.00 (Pounds)
528 pages, 8 halftones, 226 line drawings
OUP/International Union of Crystallography
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