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The MULTAN87 program system has been tested on 24 structures solved previously. The results testify that the Sayre tangent formula is a very powerful tool for solution of the phase problem. On the other hand the default run and the parameter‐shift method have both given weak test results.
A new program complex for macromolecular refinement is described. The kernel of the complex is the program FROG2 to refine proteins, RNA and other biopolymers. Its high‐speed operation is due to the fast differentiation and the fast Fourier transform algorithms it uses. A model can be described...
The indexing strategy of our sixteen‐year‐old powder‐pattern indexing program has recently been revised. Several enhancements lead to an increased reliability and much shorter computing times in indexing difficult patterns, especially monoclinic.
A new apparatus is proposed for grazing X‐ray measurements of thin films on flat substrates. The multiple‐beam interferences of parallel layers and/or the Bragg peaks of multilayers are measured in the angular dispersive mode with a position‐sensitive proportional counter. Measurements of...
The periodicities, profiles and contrast of stacking‐fault fringes observed in high‐resolution synchrotron X‐ray section topographs have been comprehensively studied with controlled changes of diffraction parameters such as wavelength and polarization mode, which allowed observations under...
A system for the rapid alignment of a monocrystal of any dimensions by the Laue method in roughly one minute is described. It is composed of a two‐dimensional detector (77 mm in diameter) on a goniometer with an image intensifier and a video camera capable of acquiring diffraction patterns in...
The crystallite orientation distributions of three magnetically aligned samples: YBa2Cu3O6 aligned in the tetragonal phase followed by oxidation for orthorhombic conversion, orthorhombic YBa2Cu3O7, and orthorhombic HoBa2Cu3O7, were studied by neutron pole‐figure measurements. Each had a fiber...
General considerations are given for the importance of providing an energy/wavelength‐dependent database of neutron coherent scattering lengths, and of the possibility of constructing such a base from the range of neutron cross‐section data that are generally available for a wide range of...
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