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Affinement de la partie centrale de la fonction de distribution radiale P ( r )
Author(s) -
Gatineau L.
Publication year - 1972
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889872009458
Subject(s) - resolution (logic) , chemistry , physics , function (biology) , distribution (mathematics) , analytical chemistry (journal) , optics , crystallography , materials science , molecular physics , chromatography , mathematics , mathematical analysis , artificial intelligence , computer science , evolutionary biology , biology
The resolution of interatomic distances obtained from the radial distribution function, P ( r ), is discussed in the case of poorly crystallized organic compounds. In addition to the application of the Warren method (fluorescent selective re‐emission), a solution is proposed to increase considerably the efficiency of the experimental device. At the same time, a method is explained for the determination of the absolute scale of the recorded intensities, allowing for removal of the extraneous peaks from the P ( r ) function. By using these methods for polyethylene, it is shown that the precision of 0.01 Å, obtained for the short interatomic distances, is comparable with that obtained from classical structural analysis.