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Cu K α 2 elimination algorithm
Author(s) -
Ladell J.,
Zagofsky A.,
Pearlman S.
Publication year - 1975
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/s0021889875011132
Subject(s) - diffractometer , diffraction , line (geometry) , component (thermodynamics) , basis (linear algebra) , interpretation (philosophy) , algorithm , intensity (physics) , powder diffraction , crystal (programming language) , computational physics , crystallography , materials science , optics , physics , chemistry , mathematics , computer science , crystal structure , geometry , thermodynamics , programming language
The existence of the K α 2 lines in powder diffractograms has always obscured the interpretation of the diffraction patterns. Studies involving integrated intensity measurements, peak intensities and line broadening have been hampered owing to these extraneous lines. Crystal monochromators are ineffective for eliminating the K α 2 profile. This paper presents an algorithm which practically removes the Cu K α 2 profile. Previous procedures to remove the K α 2 line or resolve the Kα doublet assumed the shape of the α 2 component to be identical to that of the a, component. The algorithm presented here uses the actual shape relationship between observed α 1 and α 2 components as a basis for elimination of the α 2 profile. This algorithm has been applied to an on‐line computer‐controlled diffractometer to produce `real time' Cu K α 2 ‐free diffraction patterns. The method is quite general and can be extended to remove the K α 2 lines of other radiations.