Least-squares refinements and error analysis based on correlated electron diffraction intensities of gaseous molecules

被引:178
作者
Seip, H. M. [1 ]
Strand, T. G. [1 ]
Stolevik, R. [1 ]
机构
[1] Univ Oslo, Dept Chem, Oslo 3, Norway
关键词
D O I
10.1016/0009-2614(69)85125-0
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Average correlation coefficients for the electron diffraction intensities from the Oslo apparatus was computed. Simplified weight matrices P with P-kl depending only on vertical bar k-l vertical bar were calculated from the correlation coefficients and applied in least-squares refinements. The standard deviations obtained for rite structure parameters were typically from 1.2 to 2.5 times larger than those obtained with a diagonal weight matrix. while the more accurate parameters themselves suffered changes which seemed to be of lesser importance.
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页码:617 / 623
页数:7
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