基于分段三次曲线和数据更新的色谱信号基线校正  

Chromatographic Signal Baseline Correction Based on Piecewise Cubic Curve and Data Updating

作　　者：陈金林 吴一全[1] 苑玉彬 CHEN Jinlin;WU Yiquan;YUAN Yubin(College of Electronic and Information Engineering,Nanjing University of Aeronautics and Astronautics,Nanjing,Jiangsu 211106,China;College of Finance and Mathematics,Huainan Normal University,Huainan,Anhui 232038,China)

机构地区：[1]南京航空航天大学电子信息工程学院,江苏南京211106 [2]淮南师范学院金融与数学学院,安徽淮南232038

出　　处：《计量学报》2024年第7期964-973,共10页Acta Metrologica Sinica

基　　金：国家自然科学基金(61573183);安徽省科研编制计划项目(2022AH051584)。

摘　　要：在利用多项式曲线分段拟合实测信号基线过程中,常存在分段点影响拟合精度、运算速度的问题。为了解决这些问题提出了基于分段三次曲线和数据更新的色谱信号基线校正算法。构造了一种基于5点的分段三次曲线对实测信号进行拟合,这种曲线具有低阶光滑的优点,能够有效地克服分段点影响拟合精度的缺陷;为了减少基线校正算法的迭代次数,提高运算速度,提出了改进的数据更新方法,在每次迭代运算中,将基线以上原实测信号的波峰按比例反转的结果更新基线,改进前后的算法运算时间比约为7:1;将新算法的实验结果与现有的4种相关算法进行比较,结果表明:基于分段三次曲线和数据更新的基线校正算法对基线的近似度高,速度快。新基线校正算法已在液相色谱仪中得到实际应用,证明了该算法能有效地从原色谱信号中去除基线。In the process of using polynomial curves to piecewise fitting the baseline of measurement signals,there are frequent defects where the piecewise points affect the fitting accuracy and operational speed.A new baseline correction algorithm for chromatographic signals based on piecewise cubic curves and data updating was proposedto solve the problems.Firstly,a piecewise cubic function is constructed based on five consecutive points to fit the measured signal.This piecewise cubic function has the advantage of low order smoothness and can effectively overcome the defect of piecewisepoints affecting fitting accuracy.Then,in order to reduce the number of iterations of the baseline correction algorithm and increase computational speed,an improved data updating method is proposed.In each iteration process,the peak values of the original measured signals above the baseline are reversed in a certain proportion to update the baseline,while others remain unchanged.The calculation time ratio of the algorithm before and after improvement is approximately 7:1.Finally,the new algorithm proposed is compared with five existing related algorithms.The experimentalresults show that the baseline correction algorithm based on segmented cubic curves and data updating has high approximation to the baseline and is fast.The new baseline correction algorithm in this paper has been applied in practical applications in liquid chromatography.It proves that this algorithm can effectively remove the baseline from the source chromatographic signals.

关 键 词：光学计量 液相色谱仪 色谱 基线校正 分段三次曲线 数据更新 

分 类 号：TB96[机械工程—光学工程]