{"title":"I4P:用于光发射分析的 Igor Pro 套件","authors":"Rémi Lazzari","doi":"10.1016/j.elspec.2024.147474","DOIUrl":null,"url":null,"abstract":"<div><p>A package based on the <em>Igor Pro</em> scripting language is proposed for the analysis of photoemission spectroscopy data (XPS, HAXPES, UPS). Compared to the already numerous available softwares, the <em>Igor Pro Paris Photoemission Package (I4P)</em> gathers in a single tool: (i) basic data analysis and plotting features (such as satellite/ghost line deconvolution, inelastic background subtraction, determination of the intensity-energy response function and its correction, peak overlap, energy-mass conversion in ion scattering spectroscopy), (ii) databases of binding energies, of photo-ionization cross sections, of inelastic/transport mean free paths and effective attenuation lengths, (iii) quantification based on elastic peak areas accounting for elastic scattering, (iv) depth profiling by angle-resolved photoemission and by inelastic background analysis, (iv) peak fitting with 17 different line shapes including background and fully configurable constraints between fit parameters. Aside a detailed manual including the references to the relevant literature, <em>I4P</em> comes not only with a graphical interface but also with scripting commands. Most of all, the free availability of the source code allows the potential user to easily develop additional options of data treatment.</p></div>","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"I4P: An Igor Pro suite for photoemission analysis\",\"authors\":\"Rémi Lazzari\",\"doi\":\"10.1016/j.elspec.2024.147474\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>A package based on the <em>Igor Pro</em> scripting language is proposed for the analysis of photoemission spectroscopy data (XPS, HAXPES, UPS). Compared to the already numerous available softwares, the <em>Igor Pro Paris Photoemission Package (I4P)</em> gathers in a single tool: (i) basic data analysis and plotting features (such as satellite/ghost line deconvolution, inelastic background subtraction, determination of the intensity-energy response function and its correction, peak overlap, energy-mass conversion in ion scattering spectroscopy), (ii) databases of binding energies, of photo-ionization cross sections, of inelastic/transport mean free paths and effective attenuation lengths, (iii) quantification based on elastic peak areas accounting for elastic scattering, (iv) depth profiling by angle-resolved photoemission and by inelastic background analysis, (iv) peak fitting with 17 different line shapes including background and fully configurable constraints between fit parameters. Aside a detailed manual including the references to the relevant literature, <em>I4P</em> comes not only with a graphical interface but also with scripting commands. Most of all, the free availability of the source code allows the potential user to easily develop additional options of data treatment.</p></div>\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2024-07-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0368204824000574\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0368204824000574","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
为分析光发射光谱数据(XPS、HAXPES、UPS),提出了一个基于 Igor Pro 脚本语言的软件包。与现有的众多软件相比,Igor Pro 巴黎光发射软件包(I4P)将以下功能集于一身:(i) 基本数据分析和绘图功能(如卫星/幽灵线解卷积、非弹性背景减除、强度-能量响应函数的确定及其校正、峰重叠、离子散射光谱中的能量-质量转换),(ii) 结合能、光电离截面、非弹性/传输平均值、能量-质量转换、能量-质量转换的数据库、非弹性/传输平均自由路径和有效衰减长度数据库,(iii) 基于弹性散射的弹性峰面积进行量化,(iv) 通过角度分辨光发射和非弹性背景分析进行深度剖析,(iv) 利用 17 种不同的线形(包括背景)和完全可配置的拟合参数之间的约束条件进行峰值拟合。除了包含相关文献参考资料的详细手册外,I4P 不仅有图形界面,还有脚本命令。最重要的是,免费提供的源代码允许潜在用户轻松开发更多数据处理选项。
A package based on the Igor Pro scripting language is proposed for the analysis of photoemission spectroscopy data (XPS, HAXPES, UPS). Compared to the already numerous available softwares, the Igor Pro Paris Photoemission Package (I4P) gathers in a single tool: (i) basic data analysis and plotting features (such as satellite/ghost line deconvolution, inelastic background subtraction, determination of the intensity-energy response function and its correction, peak overlap, energy-mass conversion in ion scattering spectroscopy), (ii) databases of binding energies, of photo-ionization cross sections, of inelastic/transport mean free paths and effective attenuation lengths, (iii) quantification based on elastic peak areas accounting for elastic scattering, (iv) depth profiling by angle-resolved photoemission and by inelastic background analysis, (iv) peak fitting with 17 different line shapes including background and fully configurable constraints between fit parameters. Aside a detailed manual including the references to the relevant literature, I4P comes not only with a graphical interface but also with scripting commands. Most of all, the free availability of the source code allows the potential user to easily develop additional options of data treatment.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.