高等学校化学学报

高等学校化学学报 ›› 2003, Vol. 24 ›› Issue (6): 1009.

• 论文 • 上一篇    下一篇

适用于高维数据的正交信号校正预处理方法

黄建荣, 李通化, 陈开, 亓云鹏   

  1. 同济大学化学系, 上海 200092
  • 收稿日期:2002-01-17 出版日期:2003-06-24 发布日期:2003-06-24
  • 通讯作者: 李通化(1948年出生),男,教授,博士生导师,从事化学计量学研究.E-mail:lith@tongji.edu.cn E-mail:lith@tongji.edu.cn
  • 基金资助:

    国家自然科学基金(批准号:29975019)资助

A Preprocessing Method Applied in Multi-dimension Data──NOSC

HUANG Jian-Rong, LI Tong-Hua, CHEN Kai, QI Yun-Peng   

  1. Department of Chemistry, Tongji University, Shanghai 200092, China
  • Received:2002-01-17 Online:2003-06-24 Published:2003-06-24

PDF (PC)

被引次数

19

摘要： 建立了一种高维正交信号校正方法,基于二维PLS到高维PLS的发展思想,把适用于二维数据预处理的正交信号校正方法发展成适用于高维数据预处理的方法.不仅在理论上扩展了正交信号校正方法,而且在实际应用中也能通过与高维PLS的联用产生更有效的高维数据校正方法.

关键词: 正交信号校正, NOSC, NPLS, 高维数据

Abstract: Orthogonal signal correction(OSC) is a novel spectral preprocessing method, which is based on the orthogonal projection. This pre-processing way removes from the spectral vector or matrix(X) only the part that definitely is unrelated to Y-vector or Y-matrix. Due to the merits of OSC, much interesting is focus on it, and several modified algorithms have been presented to improve it. In this paper, we present a modified multi-dimension method, named NOSC, which is applied in preprocessing three-dimension data. The three-dimension data is the measurement of a drug mixture by HPLC-DAD, in which there are three components, that are enoxacin, norfloxacin, and ciprofloxacin. Compared with those only processed by NPLS, the multi-dimension data preprocessed by NOSC have an optimal analytic result, and the covariance sauqre root is 0.33, 0.21 and 0.16 for enoxacin, norfloxacin, and ciprofloxacin respectively. NOSC was recommended for processing multi-dimension data with NPLS, PRFA and GRAFA, etc..

Key words: Orthogonal signal correction(OSC), NOSC, NPLS, Multi-dimension data

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