The 'seed-skewness' method for integration of peaks on imaging plates .2. Analysis of bias due to finite size of the peak mask and treatment of alpha(1)-alpha(2) splitting
The 'seed-skewness' method for integration of peaks on imaging plates .2. Analysis of bias due to finite size of the peak mask and treatment of alpha(1)-alpha(2) splitting
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DOI：
10.1107/s0021889896010205
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发表时间：
1997-06-01
影响因子：
6.1
通讯作者：
Coppens, P
中科院分区：
文献类型：
--
作者：
Bolotovsky, R;Coppens, P
研究了成像板衍射峰积分的种子偏度算法中偏度最小的条件。由于峰值掩模的有限大小的综合强度的偏差的理论估计推导，并与实验值相比，基于在一个单一的振荡范围内的测量与不同的实验参数。这种偏差不仅存在于种子偏度方法中。而且在标准盒积分结果中也是如此，这表明它至少部分是探测器特性的结果。如果要在高精度应用中充分利用数据，就需要进行适当的校正。的反射分裂的情况下的强度校正的算法进行了描述，并通过分析收集的数据集在一个阳极源进行测试。分析表明，最可靠的阿尔法（1）-阿尔法（2）校正是通过将阿尔法（1）强度乘以先验确定的因子来获得的，并且在合并长时间和短时间曝光时，短时间曝光的弱峰应该被丢弃在旋转阳极和同步加速器数据集中。
The conditions for the skewness minimum in the seed-skewness algorithm for integration of diffraction maxima on imaging plates are examined. Theoretical estimates of the bias in the integrated intensities due to finite size of the peak mask are derived, and compared with experimental values based on measurements over a single oscillation range with different experimental parameters. The bias is present not only in the seed-skewness method. but also in the standard-box integration results, which suggests that it is at least in part a result of detector characteristics. Appropriate corrections are needed if the data are to be used to the fullest extent in high-accuracy applications. An algorithm for the intensity correction in the case of splitting of the reflections is described, and tested by analysis of a data set collected at a rotating-anode source. The analysis shows that the most reliable alpha(1)-alpha(2) correction is obtained by multiplication of the alpha(1) intensity by an a priori determined factor, and that, on merging of long and short exposures, the weak peaks from the short exposures should be discarded in both rotating-anode and synchrotron data sets.