Journal of Applied Crystallography

Volume 29, Part 2 (April 1996)


Cover illustration Cover illustration: Neutron scattering pattern in the (hk0) reciprocal-lattice plane from alpha-AgI at 520 K. The portion shown extends from 0 to 5.4 reciprocal-lattice units in both h and k. Courtesy of D. A. Keen, V. M. Nield and R. L. McGreevy.

lead articles



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J. Appl. Cryst. (1996). 29, 81-99    [doi:10.1107/S0021889895007126]

Magnetic Compton Scattering and Measurements of Momentum Distribution of Magnetic Electrons

N. Sakai

Synopsis: A basic theory and recent experiments of magnetic Compton scattering using synchrotron radiation are reviewed.


research papers



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J. Appl. Cryst. (1996). 29, 100-104    [doi:10.1107/S002188989501421X]

Knowledge-Based B-Factor Restraints for the Refinement of Proteins

D. E. Tronrud

Synopsis: The current practice of restraining all B factors equal to their bonded neighbors is reviewed. A restraint is proposed that uses the patterns of B factors of low-resolution refinements.



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J. Appl. Cryst. (1996). 29, 105-109    [doi:10.1107/S0021889894011878]

The Use of a Charge-Coupled-Device Imaging System for X-ray Film Intensity Measurement

M. W. Grigg and Z. Barnea

Synopsis: A method is described of digitizing an X-ray film image by the use of a charge-coupled device. The use of an analytic representation of the observed film response is demonstrated.



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J. Appl. Cryst. (1996). 29, 110-117    [doi:10.1107/S0021889895008144]

Two-Dimensional Desmearing of Centrosymmetric Small-Angle X-ray Scattering Diffraction Patterns

V. Le Flanchec, D. Gazeau, J. Taboury and Th. Zemb

Synopsis: The origins of distortions of diffraction patterns recorded on image-plate detectors are analyzed, and two methods for two-dimensional desmearing are proposed and discussed.



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J. Appl. Cryst. (1996). 29, 118-124    [doi:10.1107/S0021889895009733]

Microtexture Analysis by Synchrotron-Radiation X-ray Diffraction of Nickel-Iron Alloys Prepared by Microelectroplating

S. P. Bäckstrøm, C. Riekel, S. Abel, H. Lehr and H. R. Wenk

Synopsis: Microtexture analysis of a lithographically prepared alloy sample (LIGA process) has been performed with a 7 [mu]m synchrotron-radiation beam.



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J. Appl. Cryst. (1996). 29, 125-133    [doi:10.1107/S0021889895011289]

Orientational Changes in the ab plane of YBA2Cu3O7-[delta] Films on Different Substrates

T. Steinborn, H. Adrian, E. Brecht, H. Fuess, M. Maul, G. Miehe, K. Petersen, M. Rodewald, M. Rao, W. W. Schmahl, C. Traeholt, J. Wiesner, G. Wirth, H. Zandbergen and J. Zegenhagen

Synopsis: X-ray examination of c-axis oriented thin films of YBa2Cu3- O7-[delta] on various substrates revealed changes induced by oxidation/reduction, doping with Fe and irradiation with heavy ions. The rotation effects originate in changes of the YBCO film microstructure and do not correlate with the substrate type used.



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J. Appl. Cryst. (1996). 29, 134-146    [doi:10.1107/S0021889895011605]

Small-Angle Scattering from Polymeric Mass Fractals of Arbitrary Mass-Fractal Dimension

G. Beaucage

Synopsis: A scattering function is obtained that describes mass-fractal scattering over a wide range of angle in terms of the radius of gyration, contrast factor and fractal dimension. Applications to organic polymer blends as well as low-density ceramics and organic materials are also discussed.



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J. Appl. Cryst. (1996). 29, 147-151    [doi:10.1107/S0021889895011757]

Chemical Composition and Microstructure of Magnetically Melt-Textured Bi2Sr2Ca0.8Dy0.2Cu2O8-y

S. Stassen, A. Rulmont, T. Krekels, M. Ausloos and R. Cloots

Synopsis: The melt-textured growth process under a magnetic field of Bi2Sr2Ca0.8Dy0.2Cu2O8-y ceramics has been studied. The chemical composition of the different microstructural features has been put into evidence, and correlated with the mechanism of formation.



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J. Appl. Cryst. (1996). 29, 152-158    [doi:10.1107/S0021889895012751]

Resolution Function for Two-Axis Specular Neutron Reflectivity

W. G. Bouwman and J. S. Pedersen

Synopsis: Two methods to calculate the resolution function for two-axis specular neutron reflectivity are presented and compared with measured reflectivity curves of a well defined sample with pronounced oscillations.



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J. Appl. Cryst. (1996). 29, 159-163    [doi:10.1107/S0021889895013434]

X-ray Scattering on Stacking Faults in 123 Crystals Considering Local Changes of Distances between Atomic Layers

N. D. Rud and A. I. Ustinov

Synopsis: The X-ray method for determination of the additional CuO atomic layer density in the AB2Cu3O7 structure and local changes of interplanar distances is described.



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J. Appl. Cryst. (1996). 29, 164-169    [doi:10.1107/S0021889895013641]

Distributions of Rotation Axes for Randomly Oriented Symmetric Objects

A. Morawiec

Synopsis: Distributions of rotation axes corresponding to the smallest rotation angles for symmetric objects (crystallites) are given. All proper symmetries in three-dimensional space are considered. A uniform orientation distribution of objects is assumed.



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J. Appl. Cryst. (1996). 29, 170-177    [doi:10.1107/S0021889895013719]

The Analysis of Small-Angle Scattering Data from Polydisperse Rodlike Particles by Indirect Transform and Maximum-Entropy Methods

T.-L. Lin and C.-S. Tsao

Synopsis: Both the indirect transform and maximum-entropy methods are developed for recovering the length distribution of polydisperse rods from their small-angle scattering data.



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J. Appl. Cryst. (1996). 29, 178-185    [doi:10.1107/S0021889895014191]

Computed X-ray Powder Diffraction Patterns for Ultrasmall Zeolite Crystals

J. L. Schlenker and B. K. Peterson

Synopsis: Theoretical X-ray diffraction patterns have been calculated for powders of very small faujasite and ZSM-5 crystallites. These calculated patterns give the first realistic picture of the expected appearance of X-ray powder diffraction patterns of ultrasmall crystals of these well known commercial zeolites.



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J. Appl. Cryst. (1996). 29, 186-197    [doi:10.1107/S0021889895015561]

Polarized X-ray Absorption. Quantitative Determination by Fluorescence Measurements

T. Lippmann, A. Kirfel and K. Fischer

Synopsis: A method is discussed to determine both qualitatively and quantitatively the polarization dependent X-ray absorption due to anisotropic anomalous scattering from fluorescence measurements.


computer programs



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J. Appl. Cryst. (1996). 29, 198-201    [doi:10.1107/S0021889895014567]

Development of the computational procedures for a complete simulation of back-reflection Laue patterns

C. Marín and E. Diéguez

Synopsis: Following the method proposed by Marín & Diéguez [J. Appl. Cryst. (1995). 28, 889-840], an algorithm has been developed for the complete simulation of any X-ray back-reflection Laue pattern.



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J. Appl. Cryst. (1996). 29, 202-203    [doi:10.1107/S0021889895013732]

The use of World Wide Web browsers to create graphical user interfaces (GUIs) for crystallographic software: a GUI implementation for X-PLOR

Y. W. Chen and T. Y. Fu

Synopsis: A graphical user interface for X-PLOR has been developed so that users can interact with the program via World Wide Web browsers.


laboratory notes



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J. Appl. Cryst. (1996). 29, 204-205    [doi:10.1107/S0021889895011599]

A container for the transport of mounted crystals

M. Whitlow

Synopsis: An airtight 15 ml pressure reaction tube has been modified to hold a mounted crystal. Firmly packed in foam rubber, these crystal shipping tubes have been successfully used to ship macromolecular crystals by overnight courier.



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J. Appl. Cryst. (1996). 29, 206-207    [doi:10.1107/S0021889895013720]

A new technique for making spheres of single crystals

Y. Takahashi, K. Yamamoto, K. Ohshima, K. Yukino and F. P. Okamura

Synopsis: A new technique for making spheres of single crystals is briefly described. It is confirmed that this method is very effective when used to prepare spherical specimens of LaB6, a refractory material that is widely used as a thermo-radiated material.


cryocrystallography papers



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J. Appl. Cryst. (1996). 29, 208-210    [doi:10.1107/S002188989501315X]

A removable arc for mounting and recovering flash-cooled crystals

C. Engel, R. Wierenga and P. A. Tucker

Synopsis: A simple device for the transfer of a flash-cooled crystal from the goniometer head, where it is positioned in the cold gas stream, to the storage dewar and vice versa is described.


fast communications



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J. Appl. Cryst. (1996). 29, 211-214    [doi:10.1107/S0021889895017195]

The development of Monte Carlo methods for crystal structure solution from powder diffraction data: simultaneous translation and rotation of a structural fragment within the unit cell

M. Tremayne, B. M. Kariuki and K. D. M. Harris

Synopsis: A Monte Carlo technique has been successfully applied to solve the crystal structure of p-methoxybenzoic acid from X-ray powder diffraction data



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J. Appl. Cryst. (1996). 29, 215-218    [doi:10.1107/S0021889895015263]

A high-pressure study of [epsilon]-FeSi, between 0 and 8.5 GPa, by time-of-flight neutron powder diffraction

I. G. Wood, W. I. F. David, S. Hull and G. D. Price

Synopsis: The crystal structure of cubic iron monosilicide, [epsilon]-FeSi, has been determined at six pressures between 0 and 8.5 GPa by time-of-flight neutron powder diffraction, using the POLARIS diffractometer at the ISIS spallation neutron source.


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