Aix-Marseille Université , CNRS, BIP UMR 7281, 31 chemin J. Aiguier, F-13402 Marseille Cedex 20, France.
Anal Chem. 2016 May 17;88(10):5050-2. doi: 10.1021/acs.analchem.6b00224. Epub 2016 May 3.
Undoubtedly, the most natural way to confirm a model is to quantitatively verify its predictions. However, this is not done systematically, and one of the reasons for that is the lack of appropriate tools for analyzing data, because the existing tools do not implement the required models or they lack the flexibility required to perform data analysis in a reasonable time. We present QSoas, an open-source, cross-platform data analysis program written to overcome these problems. In addition to standard data analysis procedures and full automation using scripts, QSoas features a very powerful data fitting interface with support for arbitrary functions, differential equation and kinetic system integration, and flexible global fits. QSoas is available from http://www.qsoas.org .
无疑,确认模型最自然的方法是定量验证其预测。然而,这并没有系统地进行,原因之一是缺乏用于分析数据的适当工具,因为现有的工具没有实现所需的模型,或者缺乏在合理的时间内执行数据分析所需的灵活性。我们提出了 QSoas,这是一个开源的、跨平台的数据分析程序,旨在克服这些问题。除了使用脚本进行标准数据分析程序和完全自动化之外,QSoas 还具有非常强大的数据拟合界面,支持任意函数、微分方程和动力学系统集成,以及灵活的全局拟合。QSoas 可从 http://www.qsoas.org 获得。