Determination of rank by median absolute deviation (DRMAD): a simple method for determining the number of principal factors responsible for a data matrix

被引:31
作者
Malinowski, Edmund R. [1 ]
机构
[1] Stevens Inst Technol, Dept Chem Chem Biol & Biomed Engn, Hoboken, NJ 07030 USA
关键词
principal component analysis; factor analysis; multivariate analysis; rank anlalysis; spectroscopy; chromatography; WINDOW FACTOR-ANALYSIS; F-TEST; COMPONENTS; SPECTRA; CHROMATOGRAPHY; COMPLEXATION; COPPER(II); MIXTURE; MODELS;
D O I
10.1002/cem.1182
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
Median absolute deviation (MAD) is a well-established statistical method for determining outliers. This simple statistic can be used to determine the number of principal factors responsible for a data matrix by direct application to the residual standard deviation (RSD) obtained from principal component analysis (PCA). Unlike many other popular methods the proposed method, called determination of rank by MAD (DRMAD), does not involve the use of pseudo degrees of freedom, pseudo F-tests, extensive calibration tables, time-consuming iterations, nor empirical procedures. The method does not require strict adherence to normal distributions of experimental uncertainties. The computations are direct, simple to use and extremely fast, ideally suitable for online data processing. The results obtained using various sets of chemical data previously reported in the chemical literature agree with the early work. Limitations of the method, determined from model data, are discussed. An algorithm, written in MATLAB format, is presented in the Appendix. Copyright (C) 2008 John Wiley & Sons, Ltd.
引用
收藏
页码:1 / 6
页数:6
相关论文
共 24 条
[1]  
[Anonymous], J CHEMOMETR
[2]   SCREE TEST FOR NUMBER OF FACTORS [J].
CATTELL, RB .
MULTIVARIATE BEHAVIORAL RESEARCH, 1966, 1 (02) :245-276
[3]  
Chen ZP, 1999, J CHEMOMETR, V13, P15, DOI 10.1002/(SICI)1099-128X(199901/02)13:1<15::AID-CEM527>3.0.CO
[4]  
2-I
[5]   Selecting significant factors by the noise addition method in principal component analysis [J].
Dable, BK ;
Booksh, KS .
JOURNAL OF CHEMOMETRICS, 2001, 15 (07) :591-613
[6]   Complexation between copper(II) and glycine in aqueous acid solutions by window factor analysis of visible spectra [J].
Darj, MM ;
Malinowski, ER .
ANALYTICAL CHEMISTRY, 1996, 68 (09) :1593-1598
[7]   INVESTIGATION OF COPPER(II) ETHYLENEDIAMINETETRAACETATE COMPLEXATION BY WINDOW FACTOR-ANALYSIS OF ULTRAVIOLET-SPECTRA [J].
DEN, W ;
MALINOWSKI, ER .
JOURNAL OF CHEMOMETRICS, 1993, 7 (02) :89-98
[8]  
Faber K, 1997, J CHEMOMETR, V11, P53, DOI 10.1002/(SICI)1099-128X(199701)11:1<53::AID-CEM434>3.0.CO
[9]  
2-4
[10]  
Gemperline P.J., 1989, J. Chemom, V3, P455