Small-angle scattering data analysis in GSAS-II

被引:42
作者
Von Dreele, Robert B. [1 ]
机构
[1] Argonne Natl Lab, APS, Lemont, IL 60439 USA
关键词
X-RAY-SCATTERING; NEUTRON-SCATTERING; CALIBRATION; INSTRUMENT; EQUATION; KINETICS; ENERGY; IMAGE;
D O I
10.1107/S1600576714018366
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The General Structure Analysis System II (GSAS-II) now contains modules for the analysis of small-angle X-ray scattering data. This includes processing of two-dimensional images to create corrected one-dimensional patterns, analysis via maximum entropy or total nonnegative least-squares methods of the size distribution, assuming polydispersity, in the dilute limit, and modeling of the one-dimensional data with combinations of Guinier/Porod, Porod, both dilute and condensed populations of scattering objects, and Bragg scattering components; slit smearing corrections can be applied where needed. GSAS-II can apply these modeling tools over a sequence of data collected while some experimental condition is varied. This sequential refinement result can then be subjected to a post refinement analysis to determine global parameters encompassing the entire experiment.
引用
收藏
页码:1784 / 1789
页数:6
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