Liquid Chromatography Mass Spectrometry (LC-MS) is an indispensable analytical technique in proteomics, metabolomics, and other life sciences. While OpenMS provides advanced open-source software for MS data analysis, its complexity can be challenging for non-experts. To address this, we have developed OpenMS WebApps, a framework for creating user-friendly MS web applications based on the Streamlit Python package. OpenMS WebApps simplifies MS data analysis through an intuitive graphical user interface, interactive result visualizations, and support for both local and online execution. Key features include workspaces management, automatic generation of input widgets, and parallel execution of tools resulting in highperformance and ready-to-use solutions for online and local deployment. This framework benefits both researchers and developers: scientists can focus on their research without the burden of complex software setups, and developers can rapidly create and distribute custom WebApps with novel algorithms. Several applications built on the OpenMS WebApps template demonstrate its utility across diverse MS-related fields, enhancing the OpenMS eco-system for developers and a wider range of users. Furthermore, it integrates seamlessly with third-party software, extending benefits to developers beyond the OpenMS community.
翻译:液相色谱-质谱联用技术是蛋白质组学、代谢组学及其他生命科学领域不可或缺的分析手段。尽管OpenMS为质谱数据分析提供了先进的开源软件,但其复杂性对非专业用户仍构成挑战。为此,我们开发了OpenMS WebApps——一个基于Streamlit Python包构建用户友好型质谱网络应用的框架。该框架通过直观的图形用户界面、交互式结果可视化以及本地与在线双执行模式,显著简化了质谱数据分析流程。其核心特性包括工作空间管理、输入控件自动生成以及支持并行执行的分析工具,最终形成可在线部署与本地运行的高性能即用型解决方案。该框架使研究人员与开发者共同受益:科研人员可摆脱复杂软件配置的负担而专注于研究本身,开发者则能快速创建并分发集成创新算法的定制化Web应用。基于OpenMS WebApps模板开发的多个应用实例,证明了其在跨质谱相关领域的实用性,不仅拓展了OpenMS生态系统的开发者社区,更惠及更广泛的用户群体。此外,该框架与第三方软件的无缝集成,将其优势延伸至OpenMS社区之外的开发者群体。