SpectraFit XPS：一个免费的、基于浏览器的X射线光电子能谱峰拟合与定量分析应用
SpectraFit XPS: a free, browser-based application for X-ray photoelectron spectroscopy peak fitting and quantification
- Department of Physics, Kyung Hee University（庆熙大学物理系）
机构由 AI 辅助整理，请以论文原文为准。
AI总结：
本文介绍SpectraFit XPS，一个免费、浏览器端运行的XPS数据分析工具，提供交互式拟合、多种背景扣除和定量分析功能，并精确复现KherveFitting参考值。
AI中文摘要：
SpectraFit XPS是一个免费的Web应用程序，用于分析X射线光电子能谱（XPS）数据，它完全在浏览器中运行，无需安装，也没有服务器端处理：光谱数据永远不会离开用户的计算机。它结合了交互式Levenberg-Marquardt拟合引擎与真实的Voigt、Doniach-Šunjić以及高斯-洛伦兹求和线形；支持Shirley（静态和动态）、线性和Tougaard（二参数和四参数）背景扣除；自旋-轨道双峰生成；以及基于表达式的峰间约束。定量分析支持十种相对灵敏度因子集、多种动能校正方案（包括TPP-2M非弹性平均自由程）、角度校正以及原子百分比和重量百分比，其底层数据库和算法改编自开源KherveFitting项目。该应用程序可读写ISO 14976（VAMAS）文件——包括多区域和深度剖面数据以及加载时透射函数校正——并导入常见的供应商和电子表格格式。一个出版级绘图器可导出期刊就绪的SVG/PNG图形。定量分析流程在30个案例的回归测试套件中精确复现了KherveFitting参考值，该套件是包含100个测试的自动化测试集的一部分。该应用程序、带插图的双语用户指南以及一个合成的演示数据集可在https://spectrafit-xps.web.app/免费获取。
英文摘要：
SpectraFit XPS is a free web application for the analysis of X-ray photoelectron spectroscopy (XPS) data that runs entirely in the browser, with no installation and no server-side processing: spectra never leave the user's computer. It combines an interactive Levenberg--Marquardt fitting engine with true Voigt, Doniach--Šunjić, and summed Gaussian--Lorentzian line shapes; Shirley (static and dynamic), linear, and Tougaard (two- and four-parameter) backgrounds; spin--orbit doublet generation; and expression-based inter-peak constraints. Quantitative analysis supports ten relative-sensitivity-factor sets, several kinetic-energy correction schemes including TPP-2M inelastic mean free paths, angular correction, and atomic and weight percentages, with the underlying database and algorithms adapted from the open-source KherveFitting project. The application reads and writes ISO~14976 (VAMAS) files---including multi-region and depth-profile data and load-time transmission-function correction---and imports common vendor and spreadsheet formats. A publication plotter exports journal-ready SVG/PNG figures. The quantification pipeline reproduces KherveFitting reference values exactly in a 30-case regression suite, part of an automated test set of 100 tests. The application, an illustrated bilingual user guide, and a synthetic demonstration dataset are freely available at https://spectrafit-xps.web.app/.
