Determination and visualization of rotational ambiguity in four-component systems
Determination and visualization of rotational ambiguity in four-component systems
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DOI：
10.1016/j.aca.2013.08.007
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发表时间：
2013-09-24
影响因子：
6.2
通讯作者：
Abdollahi, Hamid
中科院分区：
文献类型：
--
作者：
Golshan, Azadeh;Maeder, Marcel;Abdollahi, Hamid
限制使用非模型分析方法解决多变量数据的主要问题之一是，结果中通常存在旋转模糊。虽然最近已经发表了两组分和三组分系统的旋转模糊度的完整定义方法，但对于四组分系统的旋转模糊的全面和一般的解决方案几十年来一直是化学家们所不能解决的。我们发展了一种扩展的四分量混合的自建模曲线分辨率。通过对模拟数据集和真实数据集的解析，验证了该方法的有效性。(C)2013爱思唯尔B.V.保留所有权利。
One of the main problems that limit the use of model-free analysis methods for the resolution of multivariate data is that usually there is rotational ambiguity in the result. While methods for the complete definition of rotational ambiguity for two-and three-component systems have been published recently, the comprehensive and general resolution of rotational ambiguity for four-component systems has eluded chemists for several decades. We have developed an extension of self-modelling curve resolution for a mixture of four-components. The performance of the method was verified by applying it to resolve simulated and real data sets. (C) 2013 Elsevier B.V. All rights reserved.