issue contents

Journal logoJOURNAL OF
ISSN: 1600-5767

October 1996 issue

Highlighted 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.

research papers

J. Appl. Cryst. (1996). 29, 511-515
doi: 10.1107/S0021889896001550
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It is shown that a simple interpretation of diffuse and specular reflectivity is possible if the resolution function is separable for two directions in the scattering plane.

J. Appl. Cryst. (1996). 29, 516-525
doi: 10.1107/S0021889896002804
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The von Mises–Fisher matrix distribution on SO(3) provides a versatile mathematical model for both analysis and component-fit methods in texture analysis, even though a theoretical justification is missing.

J. Appl. Cryst. (1996). 29, 526-530
doi: 10.1107/S0021889896002981
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Sintering of Pt on NaY zeolite support during processing is examined via in situ small-angle X-ray scattering, which indicates that the particle-size distribution of Pt in the reduced and finished catalyst is determined during the earliest stages of calcination.

J. Appl. Cryst. (1996). 29, 531-539
doi: 10.1107/S0021889896003809
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Intensity corrections are described when the textures of thin layers are studied in low-incidence geometry. These corrections are applied to aluminium and iron thin films or bilayers deposited on steel or silicon.

J. Appl. Cryst. (1996). 29, 540-546
doi: 10.1107/S0021889896004839
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The specific influence of the asymmetric diffraction geometry on peak position, profile shape and intensity determination is studied when a curved position-sensitive detector and a conventional pseudoparallel incident beam are used.

J. Appl. Cryst. (1996). 29, 547-554
doi: 10.1107/S0021889896004840
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With the a priori assumption of a special type of structure model, the unknown parameters are calculated using analytical real- space functions and slit-distorted small-angle scattering curves.

J. Appl. Cryst. (1996). 29, 555-560
doi: 10.1107/S0021889896004979
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The indirect-transformation method in reciprocal space (ITR) and the indirect-transformation method are used in the analysis of small-angle X-ray scattering (SAXS) curves from semidilute aqueous solutions of fragmented DNA. In particular, the ITR method is used to desmear those SAXS curves where interparticle interference effects are present, with the aim of obtaining the interference function.

J. Appl. Cryst. (1996). 29, 561-567
doi: 10.1107/S002188989600595X
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The absorption behaviour of X-rays scattered by samples in transmission geometry is analyzed and a correction procedure is proposed. The given expressions were tested by their application in Rietveld analysis.

J. Appl. Cryst. (1996). 29, 568-573
doi: 10.1107/S0021889896006401
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From Moiré fringes observed on X-ray diffraction topographs of SIMOX (separation by implantation of oxygen) structures, the in-plane components of the triclinic relative strain are determined.

J. Appl. Cryst. (1996). 29, 574-583
doi: 10.1107/S0021889896006590
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Measurements of refractive index and thermal expansion as a function of temperature, which were conducted using a new Kösters prismn interferometer, are described and presented for quartz, barium sodium niobate and indium-doped potassium titanyl arsenate.

cryocrystallography papers

J. Appl. Cryst. (1996). 29, 584-587
doi: 10.1107/S0021889896004190
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Measurement has been made of the minimum glycerol concentration required to cryoprotect 50 typical protein crystallization solutions for use in macromolecular cryocrystallographic diffraction data collection at around 100 K.

short communications

J. Appl. Cryst. (1996). 29, 588-590
doi: 10.1107/S0021889896004323
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By use of the Rietveld method and the formation-reaction equations as constraint, a straightforward numerical procedure to improve the quantitative analysis of a compound was obtained.

J. Appl. Cryst. (1996). 29, 591-592
doi: 10.1107/S0021889896005092
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A simple general argument is given showing the independence of the asymptotic behaviour of small-angle scattering from any amount of multiple scattering. The argument is valid as long as the intensity drops faster than 1/q2.

J. Appl. Cryst. (1996). 29, 593
doi: 10.1107/S0021889896010631

computer programs

J. Appl. Cryst. (1996). 29, 594-597
doi: 10.1107/S0021889896004724
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A program (XPACK.PL) written in Perl that transforms Brook- haven Protein Data Bank structure files into three-dimensional crystal packing Virtual Reality Modelling Language (VRML) world files is discussed.

CIF applications

J. Appl. Cryst. (1996). 29, 598-603
doi: 10.1107/S0021889896006371
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CIFtbx2 is a new version of a Fortran subroutine library for programmers developing CIF applications. The functions for reading and writing CIF data in CIFtbx have been expanded and facilities for handling macromolecular CIF data and dictionaries have been added.

laboratory notes

J. Appl. Cryst. (1996). 29, 604-606
doi: 10.1107/S0021889896007479
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Implementation into the control program of very flexible scans in hkl and angular space is presented. With the analysing tool, it can be used for determination of real structures in thin films, superstructures etc.

J. Appl. Cryst. (1996). 29, 607
doi: 10.1107/S0021889896005948
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Apparatus for investigating air-sensitive powder samples with a flat sample holder fitting in an Enraf-Nonius FR552 Guinier camera is described.

fast communications

J. Appl. Cryst. (1996). 29, 608-613
doi: 10.1107/S0021889896004712
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A simple device for studying crystalline samples under moderate gaseous pressure has been used to produce several xenon derivatives of proteins providing useful phasing information.

international union of crystallography

J. Appl. Cryst. (1996). 29, 614
doi: 10.1107/S002188989609961X

new commercial products

J. Appl. Cryst. (1996). 29, 614-616
doi: 10.1107/S0021889896099608

books received

J. Appl. Cryst. (1996). 29, 616
doi: 10.1107/S0021889896099591

J. Appl. Cryst. (1996). 29, 616
doi: 10.1107/S002188989609958X

J. Appl. Cryst. (1996). 29, 616
doi: 10.1107/S0021889896099578
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