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本文用阻尼最小二乘法将国际X射线结晶学手册中全部中性原子的电子散射因子数据,从(sinθ)/λ等于0.0到2.0的范围内,拟合成包含九个参数的解析式 f(s)=sumfrom i=1to4 (aie-bis2))+c.用相对偏离因子R=sumfrom k=1toN (fok+fok)/sumfrom k=1toN (fok)作为估计原子散射因子计算值与观测值之间相对偏离程度的判据。计算结果表明,各种原子散射因子的相对偏离因子R约为10-3。文中除列出参数表外,还给出了相对偏离因子、最大误差、平均误差、均方差以及偏差方和。The data of electron scattering factor for all neutral atoms, given in International Tables for X-Ray Crystallography in the range of sinθ/λ from 0.0 to 2.0 have been fitted by use of the damping least square method to an analytical formula with nine parameters as f(s)=sumfrom i=1to4 (aie-bis))+c. A relative deviation factor R=sumfrom k=1toN (|fok-fok|)/sumfrom k=1toN (fok) is served as the criterion of the relative deviation between the calculated and the observed values of the atomic scattering factor. The calculation shows that the relative deviation factors R for all atomic factors are approximately equal to 10-3. All parameters and corresponding relative deviation factors are tabulated. The maximun errors, the mean error, the mean square error and the summation square deviation are also given.
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