论文标题

每个人的基本散射应用程序。概述

Essential Scattering Applications for Everyone. Overview

论文作者

Korolkov, Denis, Rakhimov, Stepan

论文摘要

Escape是一个免费的Python软件包和框架,用于创建用于模拟和拟合X射线和中子散射数据的应用程序,并具有当前支持镜面反射率,极化中子中子反射仪,高分辨率X射线衍射,小角度散射,未来对具有复杂形态学的结构样品外散射的较小角度散射。利用Jupyter项目的当前功能,它允许以笔记本的格式创建高度自定义的应用程序。这些笔记本可以与其他用户共享,可以直接使用或以图形用户界面为Web应用程序。本文是对核心和散射软件包的简要概述,提供了用代码示例对主要功能的描述。以下功能使逃脱与其他项目不同:独立于散射应用程序核心,该核心可访问模型,例如参数,变量,函子,数据对象,模型和优化器;支持参数和函子的算术操作和代数表达式,提供具有复杂依赖性参数的模型;具有标准数学函数和特殊函数的数学模块对可变或参数执行数值集成,从而提供强度模型的自定义;同时拟合了几种模型,也适用于具有不同尺寸的模型。查看我们的网站https://escape-app.net/以获取更多信息。

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.

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