Sedlak Steffen M, Bruetzel Linda K, Lipfert Jan
Department of Physics, Nanosystems Initiative Munich, and Center for NanoScience, LMU Munich , Amalienstrasse 54, Munich, 80799, Germany.
J Appl Crystallogr. 2017 Mar 29;50(Pt 2):621-630. doi: 10.1107/S1600576717003077. eCollection 2017 Apr 1.
A new model is proposed for the measurement errors incurred in typical small-angle X-ray scattering (SAXS) experiments, which takes into account the setup geometry and physics of the measurement process. The model accurately captures the experimentally determined errors from a large range of synchrotron and in-house anode-based measurements. Its most general formulation gives for the variance of the buffer-subtracted SAXS intensity σ() = [() + const.]/(), where () is the scattering intensity as a function of the momentum transfer ; and const. are fitting parameters that are characteristic of the experimental setup. The model gives a concrete procedure for calculating realistic measurement errors for simulated SAXS profiles. In addition, the results provide guidelines for optimizing SAXS measurements, which are in line with established procedures for SAXS experiments, and enable a quantitative evaluation of measurement errors.
针对典型小角X射线散射（SAXS）实验中产生的测量误差，提出了一种新模型，该模型考虑了测量过程的装置几何结构和物理特性。该模型准确地捕捉了来自大量同步加速器和基于实验室阳极的测量中实验确定的误差。其最一般的公式给出了扣除缓冲液后的SAXS强度的方差σ() = [() + const.]/()，其中()是作为动量转移函数的散射强度；和const.是实验装置特有的拟合参数。该模型给出了计算模拟SAXS谱的实际测量误差的具体程序。此外，结果为优化SAXS测量提供了指导方针，这些指导方针与既定的SAXS实验程序一致，并能够对测量误差进行定量评估。
