International Tables for Crystallography

International Tables for Crystallography

Online ISBN: 9780470685754

DOI: 10.1107/97809553602060000001

What's New


New for 2012:

The second edition of Volume F, Crystallography of biological macromolecules. This edition features 19 new articles and many of the original articles have been revised. The new articles cover topics such as standard definitions for quality indicators, expression of membrane proteins, protein engineering, high-throughput crystallography, imaging of whole cells, radiation damage, merohedral twinning, low-resolution ab initio phasing, robotic crystal loading and halogen interactions in biological crystal structures. There are also new articles on relevant software, including software for electron microscopy.

 

New for 2011:

The second edition of Volume A1, Symmetry relations between space groups. There are two new chapters in this edition. The first explains how to build trees of group-subgroup relations for crystal structures that can be derived from a high-symmetry structure type, while the second describes the relevant databases and computer programs of the Bilbao Crystallographic Server. A detailed discussion of the supergroup data in the volume and a description of the procedure for the complete derivation of the minimal supergroups from the data for the maximal subgroups has been added.

The Symmetry Database. This database is a unique resource that provides more extensive symmetry information than can be found in Volumes A and A1. This additional symmetry information can either be retrieved directly from the database or simple calculations can be carried out using the database to generate specific data 'on the fly'. Use of the symmetry database thus facilitates the in-depth study of group-subgroup relations, domain structures and twinning, families of related crystal structures and phase transitions, and the prediction of new crystal structures.

New for 2010:

The third edition of Volume B, Reciprocal space. This edition includes contributions by seven new authors and a new chapter on modern extensions of the Ewald method for Coulomb interactions in crystals. There are three new sections on electron diffraction and electron microscopy in structure determination, describing point-group and space-group determination by convergent-beam electron diffraction, three-dimensional reconstruction, and single-particle reconstruction. The chapters on space-group representations in reciprocal space, direct methods, Patterson and molecular replacement techniques, and disorder diffuse scattering have been substantially revised to take into account recent developments and several other chapters have been updated.

The second edition of Volume E, Subperiodic groups. In this edition, additional information has been included in the comparison tables of notations for the seven crystallographic frieze-group types (two-dimensional groups with one-dimensional translations), the 75 crystallographic rod-group types (three-dimensional groups with one-dimensional translations) and the 80 crystallographic layer-group types (three-dimensional groups with two-dimensional translations) to improve ease of use. In the tables of symmetry-group data the Seitz notation of each symmetry operation has been included below the corresponding international notation.

Superspace Group Finder. This database contains the set of all possible three-dimensional space groups resulting from hyper-sections of the (3 + 1)-dimensional superspace groups. It can thus be considered as an extension of the scanning tables given in Volume E, in which the two-dimensional sectional layer groups of the 230 space groups are listed. Superspace Group Finder is particularly useful for finding common superspace groups for series of modular or flexible structures and phase transitions, and for exploring the symmetry of all commensurate cuts for a specific (3 + 1)-dimensional group.

 

In preparation for 2013 onwards:

 

The sixth edition of Volume A, Space-group symmetry (Editor: M. I. Aroyo)

The fourth edition of Volume C, Mathematical, physical and chemical tables (Editor: T. R. Welberry)

The first edition of Volume H, Powder diffraction (Editors: C. J. Gilmore, J. A. Kaduk and H. Schenk)

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