Abstract In chemometrics, it is common to simulate data to test new methods. However, it is difficult to find an article that only discusses the spectral data simulation in a global context. Most of the time, the simulation is performed specifically for one method. In this context, it is often difficult to understand the simulation choices and also to carry out a simulation adapted to the problem that one wishes to highlight. A generic simulation framework would allow a better understanding of the simulations carried out and also make them easier to carry out. In this article, a generic framework is proposed to simulate databases representing the problem that one wishes to simulate and facilitating the description of the simulation procedure. This method of simulation is based on the basic principles of chemometrics and allows a simple and fast simulation of data. This will be highlighted by three examples.

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关于光谱数据模拟的说明

摘要 在化学计量学中，模拟数据来测试新方法是很常见的。但是，很难找到仅讨论全局背景下的光谱数据模拟的文章。大多数情况下，模拟是专门针对一种方法执行的。在这种情况下，通常很难理解模拟选择，也很难针对人们希望强调的问题进行模拟。通用的模拟框架将允许更好地理解所进行的模拟，并使它们更容易执行。在本文中，提出了一个通用框架来模拟代表人们希望模拟的问题的数据库，并促进模拟过程的描述。这种模拟方法基于化学计量学的基本原理，可以简单快速地模拟数据。这将通过三个例子来强调。