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Moving window as a variable selection method in potentiometric titration multivariate calibration and its application to the simultaneous determination of ions in Raschig synthesis mixtures
Author(s) -
Fang Sheng,
Zhu MingQiao,
He ChaoHong
Publication year - 2009
Publication title -
journal of chemometrics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.47
H-Index - 92
eISSN - 1099-128X
pISSN - 0886-9383
DOI - 10.1002/cem.1207
Subject(s) - potentiometric titration , partial least squares regression , chemistry , multivariate statistics , calibration , titration , set (abstract data type) , analytical chemistry (journal) , chromatography , ion , mathematics , statistics , computer science , inorganic chemistry , organic chemistry , programming language
A novel method based on moving window (MW) strategy has been proposed to simultaneously choose the optimal pH region and latent variables (LVs) number for partial least squares (PLS) regression in potentiometric titration multivariate calibration. In this method, the leave‐one‐out cross‐validation with varying LVs number is run on different selected MW and, consequently, that revealing optimal results is selected. The method is applied to the simultaneous determination of H + , NH 3 OH + and NH 4 +in Raschig synthesis mixtures, which is of industrial importance. A comparison in the modeling power of PLS is made between non‐processed data set and data set processed by the MW method. Copyright © 2008 John Wiley & Sons, Ltd.