基于函数平分迭代的色谱重叠峰分峰方法  

Novel Algorithm for Decomposition of Overlapped Chromatographic Peaks Based on Function Split Iteration

作　　者：朱强[1] 张荣[1] 俞建成[1] 

机构地区：[1]宁波大学信息科学与工程学院,宁波315211

出　　处：《真空科学与技术学报》2017年第5期544-547,共4页Chinese Journal of Vacuum Science and Technology

基　　金：国家自然科学基金项目(61501273);国家自然科学基金项目(11504189);浙江省自然科学基金项目(LY16B050002);宁波大学王宽诚幸福基金

摘　　要：针对色谱重叠峰的分峰效率低和计算误差不稳定问题,研究了基于函数平分迭代的重叠峰分峰方法。利用函数平分迭代,重新确定了色谱单峰的顶点,加快了色谱重叠峰的分离;设定计算误差,控制函数平分迭代的进程。结果表明,应用该方法分离重叠峰后,与常规的3种方法相比,重叠峰的计算误差更稳定,迭代效率提高了11%,具有一定的优势。Here, we theoretically addressed the existing problems of the low decomposition efficiency and poor stability of calculation errors in decomposing the overlappedchromatographic peakswith the conventional algorithms. A novel algorithm was developed to effectively decompose the chromatographic peaks based on the function split it- eration （FSI）. First, the re-determination of the vertex of an individual peak in FSI algorithm significantly speeds up the separation of the overlapped chromatographic peaks; and then, the preset calculation error controlswell the FSI calculation. The FSI algorithm was exemplified with the overlapped peaks of endrin adehyde and ethion; and the calculation error and iterative efficiency were evaluated. The newly-developed FSI algorithm outperforms the three conventional algorithms, because of more stable calculation error and because of an increase byl 1% of the iteration efficiency.

关 键 词：色谱重叠峰 函数平分迭代 计算误差 迭代效率 

分 类 号：O657.7[理学—分析化学]