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XABS2: an empirical absorption correction program

 

作者: S. Parkin,   B. Moezzi,   H. Hope,  

 

期刊: Journal of Applied Crystallography  (WILEY Available online 1995)
卷期: Volume 28, issue 1  

页码: 53-56

 

ISSN:1600-5767

 

年代: 1995

 

DOI:10.1107/S0021889894009428

 

出版商: International Union of Crystallography

 

数据来源: WILEY

 

摘要:

TheXABS2 Fortran program calculates an empirical absorption correction based on minimization of the 2 differences betweenF2obsandF2calc. The basic algorithm has been used in the crystallography laboratory at the University of California, Davis for over a decade, in the form of the programXABS. XABSrelied upon an approximately linear relationship for spherical crystals between the transmission factor and sin2θforθ≃ 30° whenμR≃ 5. InXABS2, deviations from linearity are accounted for by a cubic equation in sin2θ, which makes it applicable over the whole range of diffraction angle. The program needs no data in addition to the unique set but assumes a bisecting (symmetric) data‐collection mode on a four‐circle diffractometer. Since it does not require knowledge of the diffractometer setting angles, it can be applied even in cases where details of the original data collection

 

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