Content: Soft independent method of class analogy : use in characterizing complex mixtures and environmental residues of polychlorinated biphenyls / D.L. Stalling, T.R. Schwartz, W.J. Dunn, III, and J.D. Petty --
Evaluating data quality in large data bases using pattern-recognition techniques / Robert R. Meglen and Robert J. Sistko --
Exploratory data analysis of rainwater composition / Richard J. Vong, Ildiko E. Frank, Robert J. Charlson, and Bruce R. Kowalski --
Multivariate analysis of electron microprobe-energy dispersive X-ray chemical element spectra for quantitative mineralogical analysis of oil shales / Lawrence E. Wangen, Eugene J. Peterson, William B. Hutchinson, and Leonard S. Levinson --
Application of pattern recognition to high-resolution gas chromatographic data obtained from an environmental survey / John M. Hosenfeld and Karin M. Bauer --
Quality assurance applications of pattern recognition to human monitoring data / Philip E. Robinson, Joseph J. Breen, and Janet C. Remmers --
Description of air pollution by means of pattern recognition employing the ARTHUR program / F.W. Pijpers --
Application of soft independent modeling of class analogy pattern recognition to air pollutant analytical data / Donald R. Scott --
Cluster analysis of chemical compositions of individual atmospheric particles data / T.W. Shattuck, M.S. Germani, and P.R. Buseck --
Monitoring polycyclic aromatic hydrocarbons : an environmental application of fuzzy C-varieties pattern recognition / R.W. Gunderson and K. Thrane --
Applications of molecular connectivity indexes and multivariate analysis in environmental chemistry / Gerald J. Niemi, Ronald R. Regal, and Gilman D. Veith --
Pattern recognition of Fourier transform IR spectra of organic compounds / Donald S. Frankel --
Use of composited samples to increase the precision and probability of detection of toxic chemicals / Gregory A. Mack and Philip E. Robinson --
The alpha and beta of chemometrics / George T. Flatman and James W. Mullins --
Statistical issues in measuring airborne asbestos levels following an abatement program / Jean Chesson, Bertram P. Price, Cindy R. Stroup, and Joseph J. Breen --
Estimation of spatial patterns and inventories of environmental contaminants using kriging / Jeanne C. Simpson --
Simple modeling by chemical analogy pattern recognition / W.J. Dunn, III, Svante Wold, and D.L. Stalling --
A quality control protocol for the analytical laboratory / Robert R. Meglen --
Statistical receptor models solved by partial least squares / Ildiko E. Frank and Bruce R. Kowalski.
Author(s): Joseph J. Breen and Philip E. Robinson (Eds.)
Series: ACS Symposium Series 292
Publisher: American Chemical Society
Year: 1985
Language: English
Pages: 295
City: Washington, D.C
Title Page......Page 1
Half Title Page......Page 3
Copyright......Page 4
ACS Symposium Series......Page 5
FOREWORD......Page 6
PdftkEmptyString......Page 0
PREFACE......Page 7
DISCLAIMER......Page 8
1 Soft Independent Method of Class Analogy Use in Characterizing Complex Mixtures and Environmental Residues of Polychlorinated Biphenyls......Page 9
METHODS......Page 11
Principal Components Analysis......Page 12
RESULTS and DISCUSSION......Page 14
Residues in Forster's Tern Eggs......Page 18
Literature Cited......Page 21
2 Evaluating Data Quality in Large Data Bases Using Pattern-Recognition Techniques......Page 24
The Rationale for Using Pattern Recognition......Page 26
Pattern Recognition Principles......Page 28
Factor Analysis......Page 30
Results and Use of Factor Score Plots......Page 31
Conclusions......Page 39
Literature Cited......Page 41
3 Exploratory Data Analysis of Rainwater Composition......Page 42
Methodology......Page 43
Results......Page 46
Literature Cited......Page 59
4 Multivariate Analysis of Electron Microprobe-Energy Dispersive X-ray Chemical Element Spectra for Quantitative Mineralogical Analysis of Oil Shales......Page 61
Methods......Page 63
Results and Discussion......Page 67
Summary......Page 74
Literature Cited......Page 76
5 Application of Pattern Recognition to High-Resolution Gas Chromatographic Data Obtained from an Environmental Survey......Page 77
Experimental......Page 78
Results and Discussion......Page 80
Literature Cited......Page 89
Background......Page 91
Approach......Page 92
Results......Page 94
Literature Cited......Page 100
Description of the Problem......Page 101
Discussion of the results......Page 102
Statistical and mathematical procedures......Page 111
Literature Cited......Page 113
8 Application of Soft Independent Modeling of Class Analogy Pattern Recognition to Air Pollutant Analytical Data......Page 114
Simca Pattern Recognition......Page 115
X-ray Emission Methods for Trace Element Analyses......Page 116
Methods of Determining Lead In Gasoline......Page 120
Gas Chromatography-Mass Spectrometric Analysis of Organic Compounds......Page 121
Conclusions......Page 124
Literature Cited......Page 125
9 Cluster Analysis of Chemical Compositions of Individual Atmospheric Particles Data......Page 126
Cluster Analysis......Page 127
Cluster Significance......Page 131
Experimental Methods......Page 133
Results......Page 134
Literature Cited......Page 137
10 Monitoring Polycyclic Aromatic Hydrocarbons An Environmental Application of Fuzzy C-Varieties Pattern Recognition......Page 138
The FCV Clustering Method......Page 139
The Validity Discriminant......Page 144
Application of FCV Cluster Analysis to Monitoring Polycyclic Aromatic Hydrocarbons......Page 146
Contributions At The Haga Site: The Validity Discriminant......Page 150
Conclusions......Page 153
Literature Cited......Page 154
11 Applications of Molecular Connectivity Indexes and Multivariate Analysis in Environmental Chemistry......Page 156
Data Base......Page 157
Statistical Analysis......Page 158
Results......Page 159
Discussion......Page 164
Future directions......Page 165
Literature Cited......Page 166
12 Pattern Recognition of Fourier Transform IR Spectra of Organic Compounds......Page 168
Pattern Recognition Background......Page 169
Experimental......Page 170
Results and Discussion......Page 171
Literature Cited......Page 180
13 Use of Composited Samples To Increase the Precision and Probability of Detection of Toxic Chemicals......Page 182
Sampling Design......Page 184
Compositing Design......Page 186
Statistical Analysis......Page 188
Summary......Page 190
Literature Cited......Page 191
14 The Alpha and Beta of Chemometrics......Page 192
15 Statistical Issues in Measuring Airborne Asbestos Levels Following an Abatement Program......Page 199
Statistical Issues......Page 200
Summary and Conclusions......Page 208
Literature Cited......Page 210
Assumptions Used in Kriging......Page 211
Kriging System of Linear Equations......Page 216
Model Estimation......Page 220
Kriging Analysis of Lead Measurements in Soil Cores......Page 225
Literature Cited......Page 249
Steps in a Pattern Recognition Study......Page 251
Derivation of Classification Rules......Page 252
Model Refinement......Page 255
Literature Cited......Page 257
18 A Quality Control Protocol for the Analytical Laboratory......Page 258
Quality Conrol - General Philosophy......Page 259
Phase One: Validation, Accuracy, and Precision......Page 260
Phase Two: Surveillance Monitoring......Page 263
Graphical Display......Page 264
The Quality Control Protocol Design......Page 266
NONE.......Page 269
SHIFT......Page 270
PLATEAU......Page 272
BUNCHING......Page 274
Conclusion......Page 277
Literature Cited......Page 278
19 Statistical Receptor Models Solved by Partial Least Squares......Page 279
The PLS Method......Page 280
Properties of the PLS method......Page 281
Comparison of PLS with the CMB and TTFA methods......Page 283
The Quail Roost Data......Page 285
Literature Cited......Page 287
Author Index......Page 288
A......Page 289
F......Page 290
L......Page 291
Ρ......Page 292
Q......Page 293
S......Page 294
X......Page 295
