当前位置: X-MOL 学术J. Appl. Crystallogr. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
ipyChord: a package for evaluating small‐angle X‐ray scattering data of fiber symmetry
Journal of Applied Crystallography ( IF 6.1 ) Pub Date : 2021-03-03 , DOI: 10.1107/s1600576721001369
Xuke Li

This article presents a Python‐based package, ipyChord, to compute the 2D chord distribution function (CDF) from the small‐angle X‐ray scattering (SAXS) pattern from polymer materials with fiber‐symmetrical nanostructure. The program allows construction of a harmonized SAXS pattern from a raw SAXS pattern, by normalization of the incident‐beam intensity, absorption correction for sample thickness, masking blind areas on the detector, and filling in the shadow of the beamstop and its holder using symmetry operations. Patterns from modular detectors with inter‐module gaps can still be fully constructed satisfactorily after determining the optimized beam position and a radial basis function. A CDF pattern computed from the full SAXS pattern can be used to determine the domain size and its variability using a graphical method. An interface distribution function computed from Bonart's longitudinal projection or sliced from a CDF meridian can quantify differently stacked hard and soft domains. Two cases of the application of ipyChord are presented. The software is open source and available at https://github.com/isaxs/ipyChord.

中文翻译:

ipyChord:用于评估光纤对称性的小角度X射线散射数据的软件包

本文介绍了一个基于Python的程序包ipyChord,从具有纤维对称纳米结构的聚合物材料的小角度X射线散射(SAXS)模式计算二维弦分布函数(CDF)。该程序允许通过对入射光束强度进行归一化,对样品厚度进行吸收校正,掩盖检测器上的盲区以及使用对称性填充光束阻挡器及其支架的阴影,从而从原始的SAXS模式构造出协调的SAXS模式。操作。在确定最佳光束位置和径向基函数之后,仍然可以令人满意地完全构建带有模块间间隙的模块化检测器的模式。从完整的SAXS模式计算出的CDF模式可用于通过图形方法确定域大小及其可变性。从Bonart'计算的接口分布函数 的纵向投影或从CDF子午线上切出的片段可以量化堆叠的硬域和软域的数量。两个案例的应用展示了ipyChord。该软件是开源的,可从https://github.com/isaxs/ipyChord获得。
更新日期:2021-04-06
down
wechat
bug