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Essential Scattering Applications for Everyone. Overview
arXiv - CS - Computational Engineering, Finance, and Science Pub Date : 2020-10-28 , DOI: arxiv-2011.01340
Denis Korolkov, Stepan Rakhimov

ESCAPE is a free python package and framework for creating applications for simulating and fitting of X-ray and neutron scattering data with current support for specular reflectivity, polarized neutron reflectometry, high resolution X-ray diffraction, small angle scattering with future support for off-specular scattering from structured samples with complicated morphology. Utilizing current features of Jupyter project, it allows to create highly customized applications in the format of notebooks. These notebooks, being shared with other users, can be used directly or started as web applications with graphical user interface. This paper is a brief overview of the core and scattering packages providing description of the major features with code examples. The following features make ESCAPE different from other projects: independent from scattering applications core, which provides access to models building blocks like parameters, variables, functors, data objects, models and optimizers; support of arithmetic operations and algebraic expressions on parameters and functors, offering models with complex dependencies of parameters; math module with standard mathematical functors and special functors which perform numerical integration over variable or parameter, supplying customization of intensity model; simultaneous fit of several models, also for models with different dimensions. Check our web site https://escape-app.net/ for further information.

中文翻译:

适合所有人的基本散射应用程序。概述

ESCAPE 是一个免费的 Python 包和框架,用于创建模拟和拟合 X 射线和中子散射数据的应用程序,当前支持镜面反射率、偏振中子反射计、高分辨率 X 射线衍射、小角度散射,未来支持离场来自具有复杂形态的结构样品的镜面散射。利用 Jupyter 项目的当前功能,它允许以笔记本格式创建高度定制的应用程序。这些笔记本与其他用户共享,可以直接使用或作为具有图形用户界面的 Web 应用程序启动。本文简要概述了核心和散射包,提供了主要功能和代码示例的描述。以下特性使 ESCAPE 与其他项目不同:独立于散射应用程序核心,它提供对模型构建块的访问,如参数、变量、函子、数据对象、模型和优化器;支持参数和函子的算术运算和代数表达式,提供具有复杂参数依赖关系的模型;具有标准数学函子和对变量或参数进行数值积分的特殊函子的数学模块,提供强度模型的定制;同时拟合多个模型,也适用于不同尺寸的模型。查看我们的网站 https://escape-app.net/ 了解更多信息。支持参数和函子的算术运算和代数表达式,提供具有复杂参数依赖关系的模型;具有标准数学函子和对变量或参数进行数值积分的特殊函子的数学模块,提供强度模型的定制;同时拟合多个模型,也适用于不同尺寸的模型。查看我们的网站 https://escape-app.net/ 了解更多信息。支持参数和函子的算术运算和代数表达式,提供具有复杂参数依赖关系的模型;具有标准数学函子和对变量或参数进行数值积分的特殊函子的数学模块,提供强度模型的定制;同时拟合多个模型,也适用于不同尺寸的模型。查看我们的网站 https://escape-app.net/ 了解更多信息。
更新日期:2020-11-11
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