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一种基于光谱信息计算解析的液相色谱滤噪新方法
引用本文:沈国芳,瞿海斌,刘雪松,程翼宇. 一种基于光谱信息计算解析的液相色谱滤噪新方法[J]. 高等学校化学学报, 2003, 24(11): 1972-1975
作者姓名:沈国芳  瞿海斌  刘雪松  程翼宇
作者单位:浙江大学药学院,杭州,310027;浙江大学药学院,杭州,310027;浙江大学药学院,杭州,310027;浙江大学药学院,杭州,310027
基金项目:国家自然科学基金 (批准号 :3 9970 890 ),国家重点基础研究发展规划项目 (批准号 :G19990 5 44 0 5 )资助
摘    要:提出一种基于光谱信息计算解析的高效液相色谱滤噪新方法.对于HPLC/DAD所获得的二维量测数据,取半峰高以上色谱数据点所对应的各列光谱数据进行计算处理,求得在检测波长下的单位标准光谱,并根据光谱维数据与单位标准光谱的关系,采用最小二乘法重构计算求出色谱维数据,从而去除色谱噪声.仿真实验和实测谱图的滤噪结果表明,该方法能有效滤除常见噪声,与中值滤波算法相比较,滤噪性能明显优于后者,是提高色谱定量分析准确度的有力工具.

关 键 词:高效液相色谱  除噪  光谱  滤波
文章编号:0251-0790(2003)11-1972-04
收稿时间:2002-08-20

A New Denoising Method for HPLC Filtering Algorithm Based on Computing Analysis of Spectra
SHEN Guo-Fang,QU Hai-Bin,LIU Xue-Song,CHENG Yi-Yu. A New Denoising Method for HPLC Filtering Algorithm Based on Computing Analysis of Spectra[J]. Chemical Research In Chinese Universities, 2003, 24(11): 1972-1975
Authors:SHEN Guo-Fang  QU Hai-Bin  LIU Xue-Song  CHENG Yi-Yu
Affiliation:College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310027, China
Abstract:A new denoising method for HPLC, named filtering algorithm based on computing analysis of spectra(FACAS), was proposed. At the measuring wavelength and with regard to the higher signal-to-noise ratio(S/N), the data points the values of which are above the median of the chromatographic peak height, were selected out. Then every spectrum corresponding to these points from HPLC/DAD was processed to acquire a standard unit spectrum. According to the relationship between the spectra and the standard unit spectrum, the denoising chromatographic data were obtained by reconstructed computation using the least squares algorithm. The results of simulated and practical experiment both indicate that the proposed method can effectively filter noise and it has a better performance of denoising compared with median filter. The facts show that FACAS is a powerful denoising tool for HPLC/DAD data.
Keywords:HPLC  Denoise  Spectrum  Filter
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