Blessing R H
Medical Foundation of Buffalo, New York 14203.
Acta Crystallogr A. 1995 Jan 1;51 ( Pt 1):33-8. doi: 10.1107/s0108767394005726.
A least-squares procedure is described for modeling an empirical transmission surface as sampled by multiple symmetry-equivalent and/or azimuth rotation-equivalent intensity measurements. The fitting functions are sums of real spherical harmonic functions of even order, ylm(-u0) + ylm(u1), 2 < or = l = 2n < or = 8. The arguments of the functions are the components of unit direction vectors, -u0 for the reverse incident beam and u1 for the scattered beam, referred to crystal-fixed Cartesian axes. The procedure has been checked by calculations against standard absorption test data.
描述了一种最小二乘法,用于对通过多个对称等效和/或方位角旋转等效强度测量采样得到的经验透射面进行建模。拟合函数是偶数阶实球谐函数的和,即ylm(-u0) + ylm(u1),2 ≤ l = 2n ≤ 8。这些函数的自变量是单位方向向量的分量,反向入射光束为-u0,散射光束为u1,均相对于晶体固定的笛卡尔坐标轴。该方法已通过与标准吸收测试数据的计算进行了检验。