The paper is briefly dealing with greater or lesser misused normalization in self-modeling/multivariate curve resolution (S/MCR) practice. The importance of the correct use of the ode solvers and apt kinetic illustrations are elucidated. The new terms, external and internal normalizations are defined and interpreted. The problem of reducibility of a matrix is touched. Improper generalization/development of normalization-based methods are cited as examples. The position of the extreme values of the signal contribution function is clarified. An Executable Notebook with Matlab Live Editor was created for algorithmic explanations and depictions.
翻译:本文简要探讨了自建模/多元曲线分辨(S/MCR)实践中普遍存在的归一化不当或误用问题。阐明了正确使用常微分方程求解器及恰当的动力学图示的重要性。定义并解释了“外部归一化”与“内部归一化”这两个新术语。讨论了矩阵的可约性问题,并引证了基于归一化的方法在概括与发展中的不当案例。厘清了信号贡献函数极值点的位置。为便于算法解释与图示说明,还创建了基于Matlab Live Editor的可执行脚本笔记本。