issue contents

Journal logoJOURNAL OF
ISSN: 1600-5767

October 1997 issue

Highlighted illustration

Cover illustration: A crystal of the protein phosphorylase b flash-cooled to 100 K in a 1 mm-diameter mohair loop prior to collection of X-ray diffraction data. Courtesy of Elspeth Garman and Stephen Lee, University of Oxford.

research papers

J. Appl. Cryst. (1997). 30, 527-531
doi: 10.1107/S0021889896014501
link to html
This study presents a comparison of the half-crystal energy calculated from structural data to the enthalpy of sublimation of some simple molecules such as normal octadecane, hexanedioic acid, diphenylmethanone, anthracene and a more complicated molecule: diuron [3-(3,4-dichlorophenyl)-1-1-dimethylurea].

J. Appl. Cryst. (1997). 30, 532-543
doi: 10.1107/S0021889897002537
link to html
The geometrical and resolution corrections are derived that occur in the measurement of the integrated intensities of surface diffraction rods for the case of a six-circle diffractometer.

short communications

J. Appl. Cryst. (1997). 30, 544-546
doi: 10.1107/S0021889897000198
link to html
A Wiener filtering algorithm was used to smooth broad and noisy X-ray diffraction (XRD) patterns from highly dispersed catalysts with low metal loading. It enabled extraction of XRD patterns from the active phases of the catalysts interpretable in terms of phase composition.

J. Appl. Cryst. (1997). 30, 547-549
doi: 10.1107/S0021889897003427
link to html
A probabilistic measure of structural similarity is proposed that takes into account the degree of spatial localization of atoms expressed in atomic displacement parameters.

J. Appl. Cryst. (1997). 30, 550
doi: 10.1107/S0021889897098956

computer programs

J. Appl. Cryst. (1997). 30, 551-554
doi: 10.1107/S0021889897003543
link to html
A program for the determination of the optimal starting spindle angle and scan range for X-ray diffraction data collection is presented.

laboratory notes

J. Appl. Cryst. (1997). 30, 555-556
doi: 10.1107/S0021889897098944
link to html
A low-cost flow cell has been designed. This is suitable for time-resolved Laue crystallography.

J. Appl. Cryst. (1997). 30, 557-558
doi: 10.1107/S0021889897004718
link to html
A furnace able to reach 1123 K with a low-temperature gradient has been developed. It is designed to work on a curved CPS 120 detector with a transmission geometry.

J. Appl. Cryst. (1997). 30, 559-560
doi: 10.1107/S0021889897002549
link to html
A new approach is presented to controlling the water vaporization rate using a vacuum pump to lower the pressure during the protein crystallization process. The successful application of the method for crystallization of adrenodoxin is described.

fast communications

J. Appl. Cryst. (1997). 30, 561-564
doi: 10.1107/S0021889897011023
link to html
Powder diffraction intensities are almost always affected by texture (preferred orientation) and overlapping of the maxima, which make phase analysis or ab initio structure solution and refinement difficult or even impossible. An attempt at partial elimination of the problem of overlapping reflections using texture as an intensity-separating `device' is described.

computer program abstracts

J. Appl. Cryst. (1997). 30, 565
doi: 10.1107/S0021889897003117
link to html
A version of ORTEP-III with a Graphical User Interface is presented.

J. Appl. Cryst. (1997). 30, 565-566
doi: 10.1107/S0021889897005025
link to html
A program that allows one to calculate the diffraction patterns for various X-ray diffraction techniques is presented.

J. Appl. Cryst. (1997). 30, 566-567
doi: 10.1107/S002188989700592X
link to html
A program for interactive real-space refinement with stereo- chemical restraints for use during model-building is presented.

J. Appl. Cryst. (1997). 30, 567
doi: 10.1107/S0021889897007541
link to html
A program that demonstrates Fourier synthesis and other crystallographic concepts is presented.


J. Appl. Cryst. (1997). 30, 567-568
doi: 10.1107/S0021889897098932

software reviews

J. Appl. Cryst. (1997). 30, 568
doi: 10.1107/S0021889897006638

books received

J. Appl. Cryst. (1997). 30, 568
doi: 10.1107/S0021889897098919

J. Appl. Cryst. (1997). 30, 568
doi: 10.1107/S0021889897098907

J. Appl. Cryst. (1997). 30, 568
doi: 10.1107/S0021889897098890

J. Appl. Cryst. (1997). 30, 568
doi: 10.1107/S0021889897098889

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