Chemometrics in Excel:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Hoboken, NJ
Wiley
2014
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| Schlagworte: | |
| Online-Zugang: | Inhaltstext Inhaltsverzeichnis |
| Beschreibung: | XVIII, 313 S. 236 mm x 188 mm |
| ISBN: | 9781118605356 1118605357 |
Internformat
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Titel: Chemometrics in Excel
Autor: Pomerantsev, Alexey L
Jahr: 2014
CONTENTS Preface xvii PART I INTRODUCTION 1 1 What is Chemometrics? 3 1.1 Subject of Chemometrics, 3 1.2 Historical Digression, 5 2 What the Book Is About? 8 2.1 Useful Hints, 8 2.2 Book Syllabus, 9 2.3 Notations, 10 3 Installation of Chemometrics Add-In 11 3.1 Installation, 11 3.2 General Information, 14 4 Further Reading on Chemometrics 15 4.1 Books, 15 4.1.1 The Basics, 15 4.1.2 Chemometrics, 16 4.1.3 Supplements, 16 4.2 The Internet, 17 4.2.1 Tutorials, 17 4.3 Journals, 17 vii
viii CONTENTS 4.3.1 Chemometrics, 17 4.3.2 Analytical, 18 4.3.3 Mathematical, 18 4.4 Software, 18 4.4.1 Specialized Packages, 18 4.4.2 General Statistic Packages, 19 4.4.3 FreeWare, 19 PART II THE BASICS 5 Matrices and Vectors 5.1 The Basics, 23 5.1.1 Matrix, 23 5.1.2 Simple Matrix Operations, 24 5.1.3 Matrices Multiplication, 25 5.1.4 Square Matrix, 26 5.1.5 Trace and Determinant, 27 5.1.6 Vectors, 28 5.1.7 Simple Vector Operations, 29 5.1.8 Vector Products, 29 5.1.9 Vector Norm, 30 5.1.10 Angle Between Vectors, 30 5.1.11 Vector Representation of a Matrix, 30 5.1.12 Linearly Dependent Vectors, 31 5.1.13 Matrix Rank, 31 5.1.14 Inverse Matrix, 31 5.1.15 Pseudoinverse, 32 5.1.16 Matrix-Vector Product, 33 5.2 Advanced Information, 33 5.2.1 Systems of Linear Equations, 33 5.2.2 Bilinear and Quadratic Forms, 34 5.2.3 Positive Definite Matrix, 34 5.2.4 Cholesky Decomposition, 34 5.2.5 Polar Decomposition, 34 5.2.6 Eigenvalues and Eigenvectors, 35 5.2.7 Eigenvalues, 35 5.2.8 Eigenvectors, 35 5.2.9 Equivalence and Similarity, 36 5.2.10 Diagonalization, 37 5.2.11 Singular Value Decomposition (SVD), 37 5.2.12 Vector Space, 38 5.2.13 Space Basis, 39 5.2.14 Geometric Interpretation, 39 5.2.15 Nonuniqueness of Basis, 39 5.2.16 Subspace, 40 5.2.17 Projection, 40
CONTENTS ix 6 Statistics 42 6.1 The Basics, 42 6.1.1 Probability, 42 6.1.2 Random Value, 43 6.1.3 Distribution Function, 43 6.1.4 Mathematical Expectation, 44 6.1.5 Variance and Standard Deviation, 44 6.1.6 Moments, 44 6.1.7 Quantiles, 45 6.1.8 Multivariate Distributions, 45 6.1.9 Covariance and Correlation, 45 6.1.10 Function, 46 6.1.11 Standardization, 46 6.2 Main Distributions, 46 6.2.1 Binomial Distribution, 46 6.2.2 Uniform Distribution, 47 6.2.3 Normal Distribution, 48 6.2.4 Chi-Squared Distribution, 50 6.2.5 Student’s Distribution, 52 6.2.6 F-Distribution, 53 6.2.7 Multivariate Normal Distribution, 54 6.2.8 Pseudorandom Numbers, 55 6.3 Parameter Estimation, 56 6.3.1 Sample, 56 6.3.2 Outliers and Extremes, 56 6.3.3 Statistical Population, 56 6.3.4 Statistics, 57 6.3.5 Sample Mean and Variance, 57 6.3.6 Sample Covariance and Correlation, 58 6.3.7 Order Statistics, 59 6.3.8 Empirical Distribution and Histogram, 60 6.3.9 Method of Moments, 61 6.3.10 The Maximum Likelihood Method, 62 6.4 Properties of the Estimators, 62 6.4.1 Consistency, 62 6.4.2 Bias, 63 6.4.3 Effectiveness, 63 6.4.4 Robustness, 63 6.4.5 Normal Sample, 64 6.5 Confidence Estimation, 64 6.5.1 Confidence Region, 64 6.5.2 Confidence Interval, 65 6.5.3 Example of a Confidence Interval, 65 6.5.4 Confidence Intervals for the Normal Distribution, 65 6.6 Hypothesis Testing, 66 6.6.1 Hypothesis, 66 6.6.2 Hypothesis Testing, 66
x CONTENTS 6.6.3 Type I and Type II Errors, 67 6.6.4 Example, 67 6.6.5 Pearson’s Chi-Squared Test, 67 6.6.6 F-Test, 69 6.7 Regression, 70 6.7.1 Simple Regression, 70 6.7.2 The Least Squares Method, 71 6.7.3 Multiple Regression, 72 Conclusion, 73 7 Matrix Calculations in Excel 7.1 Basic Information, 74 7.1.1 Region and Language, 74 7.1.2 Workbook, Worksheet, and Cell, 76 7.1.3 Addressing, 77 7.1.4 Range, 78 7.1.5 Simple Calculations, 78 7.1.6 Functions, 78 7.1.7 Important Functions, 81 7.1.8 Errors in Formulas, 85 7.1.9 Formula Dragging, 86 7.1.10 Create a Chart, 87 7.2 Matrix Operations, 88 7.2.1 Array Formulas, 88 7.2.2 Creating and Editing an Array Formula, 90 7.2.3 Simplest Matrix Operations, 91 7.2.4 Access to the Part of a Matrix, 91 7.2.5 Unary Operations, 93 7.2.6 Binary Operations, 95 7.2.7 Regression, 95 7.2.8 Critical Bug in Excel 2003, 99 7.2.9 Virtual Array, 99 7.3 Extension of Excel Possibilities, 100 7.3.1 VBA Programming, 100 7.3.2 Example, 101 7.3.3 Macro Example, 103 7.3.4 User-Defined Function Example, 104 7.3.5 Add-Ins, 105 7.3.6 Add-In Installation, 106 Conclusion, 107 8 Projection Methods in Excel 8.1 Projection Methods, 108 8.1.1 Concept and Notation, 108 8.1.2 PCA, 109 8.1.3 PLS, 110 8.1.4 Data Preprocessing, 111
CONTENTS xi 8.1.5 Didactic Example, 112 8.2 Application of Chemometrics Add-In, 113 8.2.1 Installation, 113 8.2.2 General, 113 8.3 PCA, 114 8.3.1 ScoresPCA, 114 8.3.2 LoadingsPCA, 114 8.4 PLS, 116 8.4.1 ScoresPLS, 116 8.4.2 UScoresPLS, 117 8.4.3 LoadingsPLS, 118 8.4.4 WLoadingsPLS, 119 8.4.5 QLoadingsPLS, 120 8.5 PLS2, 121 8.5.1 ScoresPLS2, 121 8.5.2 UScoresPLS2, 122 8.5.3 LoadingsPLS2, 124 8.5.4 WLoadingsPLS2, 125 8.5.5 QLoadingsPLS2, 126 8.6 Additional Functions, 127 8.6.1 MIdent, 127 8.6.2 MIdentD2, 127 8.6.3 MCutRows, 129 8.6.4 MTrace, 129 Conclusion, 130 PART III CHEMOMETRICS 131 9 Principal Component Analysis (PCA) 133 9.1 The Basics, 133 9.1.1 Data, 133 9.1.2 Intuitive Approach, 134 9.1.3 Dimensionality Reduction, 136 9.2 Principal Component Analysis, 136 9.2.1 Formal Specifications, 136 9.2.2 Algorithm, 137 9.2.3 PCA and SVD, 137 9.2.4 Scores, 138 9.2.5 Loadings, 139 9.2.6 Data of Special Kind, 140 9.2.7 Errors, 140 9.2.8 Validation, 143 9.2.9 Decomposition â€Quality†|
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| spelling | Pomerantsev, Alexey L. Verfasser aut Chemometrics in Excel Alexey L. Pomerantsev Hoboken, NJ Wiley 2014 XVIII, 313 S. 236 mm x 188 mm txt rdacontent n rdamedia nc rdacarrier EXCEL (DE-588)4138932-3 gnd rswk-swf Chemometrie (DE-588)4299578-4 gnd rswk-swf Chemometrie (DE-588)4299578-4 s EXCEL (DE-588)4138932-3 s DE-604 X:MVB text/html http://deposit.dnb.de/cgi-bin/dokserv?id=4645253&prov=M&dok_var=1&dok_ext=htm Inhaltstext HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027408811&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
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| title | Chemometrics in Excel |
| title_auth | Chemometrics in Excel |
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| title_full | Chemometrics in Excel Alexey L. Pomerantsev |
| title_fullStr | Chemometrics in Excel Alexey L. Pomerantsev |
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