Institute for Physical Chemistry, Friedrich Schiller University Jena, Helmholtzweg 4, 07743 Jena, Germany.
Leibniz Institute of Photonic Technology (IPHT) Jena, Albert-Einstein-Strasse 9, 07745 Jena, Germany.
J Phys Chem A. 2022 Jun 30;126(25):4087-4099. doi: 10.1021/acs.jpca.2c00907. Epub 2022 Jun 14.
Herein, we present KiMoPack, an analysis tool for the netic deling of transient spectroscopic data. KiMoPack enables a state-of-the-art analysis routine including data preprocessing and standard fitting (global analysis), as well as fitting of complex (target) kinetic models, interactive viewing of (fit) results, and multiexperiment analysis via user accessible functions and a graphical user interface (GUI) enhanced interface. To facilitate its use, this paper guides the user through typical operations covering a wide range of analysis tasks, establishes a typical workflow and is bridging the gap between ease of use for less experienced users and introducing the advanced interfaces for experienced users. KiMoPack is open source and provides a comprehensive front-end for preprocessing, fitting and plotting of 2-dimensional data that simplifies the access to a powerful python-based data-processing system and forms the foundation for a well documented, reliable, and reproducible data analysis.
在此，我们介绍了 KiMoPack，这是一种用于瞬态光谱数据分析的网络处理分析工具。KiMoPack 支持最先进的分析例程，包括数据预处理和标准拟合（全局分析），以及复杂（目标）动力学模型的拟合、（拟合）结果的交互式查看，以及通过用户可访问的函数和图形用户界面 (GUI) 增强界面进行多实验分析。为了方便使用，本文通过涵盖广泛分析任务的典型操作指导用户，建立了典型的工作流程，并在为经验较少的用户提供易用性和为经验丰富的用户引入高级接口之间架起了桥梁。KiMoPack 是开源的，并为 2 维数据的预处理、拟合和绘图提供了一个全面的前端，简化了对基于 python 的强大数据处理系统的访问，并为记录良好、可靠和可重复的数据分析奠定了基础。
