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光谱基线校正算法研究与应用进展

王海朋 ,  褚小立 ,  陈瀑 ,  刘丹 ,  李敬岩 ,  许育鹏

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引用本文: 王海朋, 褚小立, 陈瀑, 刘丹, 李敬岩, 许育鹏. 光谱基线校正算法研究与应用进展[J]. 分析化学, 2021, 49(8): 1270-1281. doi: 10.19756/j.issn.0253-3820.201679 shu
Citation:  WANG Hai-Peng,  CHU Xiao-Li,  CHEN Pu,  LIU Dan,  LI Jing-Yan,  XU Yu-Peng. Research and Application Progress of Algorithms for Spectral Baseline Correction[J]. Chinese Journal of Analytical Chemistry, 2021, 49(8): 1270-1281. doi: 10.19756/j.issn.0253-3820.201679 shu

光谱基线校正算法研究与应用进展

  • 中石化石油化工科学研究院, 北京 100083

    • 通讯作者: 褚小立,E-mail:cxlyuli@sina.com
  • 基金项目:

    国家重点研发计划项目（No.2017YFB0306501）资助。

摘要: 基线漂移是拉曼、中红外、近红外以及激光诱导击穿光谱等光谱仪器测量过程中经常出现的问题，会对光谱的定量和定性分析产生不利影响。基线校正是利用数学算法对光谱数据进行预处理的过程，以便于后续的尤其是结合化学计量学方法的光谱定性和定量分析。依据算法原理，常见的基线校正算法包括导数法、迭代多项式拟合法、分段拟合的算法、移动窗口平滑算法、小波变换算法、基于惩罚最小二乘的算法、鲁棒基线估计法。这些算法可在很大程度上消除基线漂移给定量和定性分析带来的不利影响，但各有特点和不足。近年来，针对上述基线校正算法的不足，研究者相继开发了一些改进算法和新型的光谱基线校正算法。改进的算法有自适应最大和最小多项式拟合荧光背景扣除算法、基于子空间向量夹角判定的区间线性拟合算法、动态移动最小二乘多项式平滑算法、确定最优小波分解尺度的能量分布法、自适应迭代重加权惩罚最小二乘算法等；新型的算法包括基于荧光褪色效应原理的荧光褪色差分法、基于图像处理中形态学算子的基线校正方法、基于稀疏表示的同时拟合纯光谱和基线的方法等。这些改进的和新型的基线校正算法进一步改善了光谱质量，提高了光谱定量和定性分析的准确性和稳健性。本文系统评述了光谱基线校正的基本算法、改进算法和新型算法及其应用研究进展，并对其发展趋势进行了展望。

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