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Direct Methods of Solving Crystal Structures

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Cover of 'Direct Methods of Solving Crystal Structures'

Table of Contents

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    Book Overview
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    Chapter 1 An Elementary Introduction to Direct Methods
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    Chapter 2 Structure Factor Algebra: Structure Invariants and Seminvariants
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    Chapter 3 Structure Invariants, Seminvariants and Origin Definition
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    Chapter 4 The Sayre Equation
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    Chapter 5 The Cochran Distribution
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    Chapter 6 Determinantal Inequalities Lead to Triplet and Quartet Relationships
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    Chapter 7 The Calculation of Normalized Structure Factors and of Triplet Invariants
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    Chapter 8 Starting Set Determinaton
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    Chapter 9 Symbolic Addition
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    Chapter 10 Tangent Formula, Tangent Refinement and Multisolution Methods
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    Chapter 11 Quartets and Other Phase Relationships
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    Chapter 12 The Joint Probability Distribution of Three Structure Factors Leading to a Distribution for the Triplet Phase Sum
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    Chapter 13 Some Applications of Probability Theory in Direct Methods
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    Chapter 14 The Neighborhood Principle and the Extension Concept
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    Chapter 15 The Method of Representations of Structure Seminvariants I: The General Background
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    Chapter 16 Introduction to Maximum Entropy
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    Chapter 17 Direct Methods Packages in 1990
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    Chapter 18 Patterson Methods
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    Chapter 19 Optimal Symbolic Phase Determination
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    Chapter 20 Random Approaches to the Phase Problem
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    Chapter 21 Maximum Entropy and the Saddlepoint Method
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    Chapter 22 The Method of Representations of Structure Seminvariants II : Some Applications
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    Chapter 23 Structure Determination by the Representation Method
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    Chapter 24 SIMPEL83, A Symbolic Addition Program System for Direct Methods Based on Higher Invariants
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    Chapter 25 Direct Methods for Modulated Structures
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    Chapter 26 Results on the Application of Direct Methods to Protein Crystallgraphy and Electron Microscopy
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    Chapter 27 Direct Phase Determination in the Electron Crystallography of Organic Compounds
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    Chapter 28 From Partial Structure to Completeness — Direct Methods Applied to Difference Structure Factors
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    Chapter 29 Phase Annealing
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    Chapter 30 Solving Difficult Structures Including Those from Powder and Electron Diffraction Data
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    Chapter 31 Direct Methods for Macromolecular Crystallography
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    Chapter 32 SIR, SAD, MAD, DM: Integrated Methods
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    Chapter 33 Note on “Superlarge” Structures and Their Phase Problem
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    Chapter 34 Some Exercises in Direct Methods
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    Chapter 35 The Dirdif Program System — Practical Session and Exercises
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    Chapter 36 The Use of Karle-Hauptman Matrices in Structure Determination
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    Chapter 37 Maximum Determinant Revisited
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    Chapter 38 Exact Conditional Probability Density Function of Three-Phase Invariant in P1: Some Theoretical and Practical Considerations
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    Chapter 39 Some Considerations Concerning the Physical Interpretation of Sayre’s Equation and Phase Triplets in Direct Methods
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    Chapter 40 Distribution Fitting Methods
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    Chapter 41 The Minimal Principle Solves Some Crystal Structures
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    Chapter 42 Estimation of Structure Seminvariants
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    Chapter 43 Figures of Merit in the Sir Program
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    Chapter 44 Squash: A Procedure for Phase Refinement and Extension of Protein Structures
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    Chapter 45 Saytan: The Sayre-Equation Tangent Formula
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    Chapter 46 Tritan — Or, Recycled Failure
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    Chapter 47 The Design of a Knowledge-Based System for Crystal Structure Determination
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Title
Direct Methods of Solving Crystal Structures
Published by
Springer US, January 2014
DOI 10.1007/978-1-4899-3692-9
ISBNs
978-1-4899-3694-3, 978-1-4899-3692-9
Editors

Schenk, Henk

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