Yunnan Academy of Tobacco Science, Kunming 650106, PR China.
Analyst. 2013 Aug 21;138(16):4483-92. doi: 10.1039/c3an00743j. Epub 2013 Jun 19.
Backgrounds existing in the analytical signal always impair the effectiveness of signals and compromise selectivity and sensitivity of analytical methods. In order to perform further qualitative or quantitative analysis, the background should be corrected with a reasonable method. For this purpose, a new automatic method for background correction, which is based on morphological operations and weighted penalized least squares (MPLS), has been developed in this paper. It requires neither prior knowledge about the background nor an iteration procedure or manual selection of a suitable local minimum value. The method has been successfully applied to simulated datasets as well as experimental datasets from different instruments. The results show that the method is quite flexible and could handle different kinds of backgrounds. The proposed MPLS method is implemented and available as an open source package at http://code.google.com/p/mpls.
背景信号的存在总是会降低信号的有效性,并影响分析方法的选择性和灵敏度。为了进行进一步的定性或定量分析,应该采用合理的方法对背景进行校正。为此,本文提出了一种新的基于形态学操作和加权惩罚最小二乘法(MPLS)的自动背景校正方法。该方法既不需要背景的先验知识,也不需要迭代过程或手动选择合适的局部最小值。该方法已成功应用于模拟数据集以及来自不同仪器的实验数据集。结果表明,该方法非常灵活,可以处理不同类型的背景。所提出的 MPLS 方法已实现,并可作为开源软件包在 http://code.google.com/p/mpls 上获得。