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Analysis of multicrystal pump–probe data sets. II. Scaling of ratio data sets

机译:多晶体泵浦探针数据集分析。二。比例数据集的缩放

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摘要

Two methods for scaling of multicrystal data collected in time-resolved photocrystallography experiments are discussed. The WLS method is based on a weighted least-squares refinement of laser-ON/laser-OFF intensity ratios. The other, previously applied, is based on the average absolute system response to light exposure. A more advanced application of these methods for scaling within a data set, necessary because of frequent anisotropy of light absorption in crystalline samples, is proposed. The methods are applied to recently collected synchrotron data on the tetra-nuclear compound Ag2Cu2 L 4 with L = 2-diphenyl­phosphino-3-methylindole. A statistical analysis of the weighted least-squares refinement residual terms is performed to test the importance of the scaling procedure.
机译:讨论了缩放在时间分辨光晶体学实验中收集的多晶数据的两种方法。 WLS方法基于对激光开启/激光关闭强度比的加权最小二乘优化。另一个以前应用的是基于对曝光的平均绝对系统响应。提出了这些方法在数据集中缩放的更高级应用,这是必需的,因为晶体样品中光吸收的频繁各向异性。该方法适用于最近收集的L = 2-二苯基­膦基-3-甲基吲哚的四核化合物Ag2Cu2 L 4的同步加速器数据。进行加权最小二乘细化残差项的统计分析以测试缩放过程的重要性。

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