LAPODS:: a computer program for refinement of lattice parameters using optimal regression

被引:13
作者
Dong, C
Langford, JI
机构
[1] Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China
[2] Univ Birmingham, Sch Phys & Astron, Birmingham B15 2TT, W Midlands, England
关键词
D O I
10.1107/S0021889800006622
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
LAPODS is an upgraded version of the program LAPOD for the refinement of lattice parameters using the method of Cohen [Langford (1971). J. Appl. Cryst. 4, 259-260]. The improved version has a number of advanced features. It can detect the most significant systematic errors automatically by means of a statistical F test; it can also operate in a manual mode with corrections set by the user or input manually. The single-value decomposition (SVD) method is used so that the refinement is now more stable. The general formula to calculate the specimen-transparency error has been incorporated and a transparency correction can now be made when the absorption is intermediate between the limiting cases of 'thick' or 'thin' samples.
引用
收藏
页码:1177 / 1179
页数:3
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