Comparison of Several Methods of Chromatographic Baseline Removal with a New Approach Based on Quantile Regression.

Comparison of Several Methods of Chromatographic Baseline Removal with a New Approach Based on Quantile Regression.
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DOI:
10.1007/s10337-011-1962-1
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发表时间:
2011-04
期刊:
影响因子:
1.7
通讯作者:
Komsta, L.
Komsta, L.
中科院分区:
化学4区
文献类型:
--
作者:
Komsta, L.

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本文介绍和讨论了一种新的用于色谱信号基线去趋势的分位数回归方法。与现有的基于多项式拟合法、样条拟合法、黄土拟合法和惠特克光滑器的方法进行了比较,每种方法都采用了阈值和重加权方法。针对现有算法中的曲线柔度选择问题,提出了一种基于残差偏度的曲线柔度选择方法。文中还讨论了各种方法的计算效率。新引入的方法具有明显的更好的性能和较短的计算时间。其他算法的行为方式与之相当,由于计算时间较短,多项式回归在这里可能是首选。
The article is intended to introduce and discuss a new quantile regression method for baseline detrending of chromatographic signals. It is compared with current methods based on polynomial fitting, spline fitting, LOESS, and Whittaker smoother, each with thresholding and reweighting approach. For curve flexibility selection in existing algorithms, a new method based on skewness of the residuals is successfully applied. The computational efficiency of all approaches is also discussed. The newly introduced methods could be preferred to visible better performance and short computational time. The other algorithms behave in comparable way, and polynomial regression can be here preferred due to short computational time.
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