Statistics and chemometrics for analytical chemistry:
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Harlow [u.a.]
Pearson Prentice Hall
2010
Munich |
| Edition: | 6. ed. |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Item Description: | Literaturangaben |
| Physical Description: | XVI, 278 S. graph. Darst. 24 cm |
| ISBN: | 9780273730422 |
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Record in the Search Index
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| adam_text | Titel: Statistics and chemometrics for analytical chemistry
Autor: Miller, James N
Jahr: 2010
Preface to the sixth edition ix
Preface to the first edition xi
Acknowledgements xiii
Glossary of Symbols xv
1 Introduction 1
1.1 Analytical problems 1
1.2 Errors in quantitative analysis 2
1.3 Typesof error 3
1.4 Random and systematic errors in titrimetric analysis 6
1.5 Handling systematic errors 9
1.6 Planning and design of experiments 12
1.7 Calculators and Computers in Statistical calculations 13
Bibliography and resources 15
Exercises 16
2 Statistics of repeated measurements 17
2.1 Mean and Standard deviation 17
2.2 The distribution of repeated measurements 19
2.3 Log-normal distribution 23
2.4 Definition of a sample 24
2.5 The sampling distribution of the mean 25
2.6 Confidence limits of the mean for large samples 26
2.7 Confidence limits of the mean for small samples 27
2.8 Presentation of results 29
2.9 Other uses of confidence limits 30
2.10 Confidence limits of the geometric mean for a
log-normal distribution 30
2.11 Propagation of random errors 31
2.12 Propagation of systematic errors 34
Bibliography 35
Exercises 35
3 Significance teste 37
3.1 Introduction 37
3.2 Comparison of an experimental mean with a known value 38
3.3 Comparison of two experimental means 39
3.4 Paired t-test 43
3.5 One-sided and two-sided tests 45
3.6 F-test for the comparison of Standard deviations 47
3.7 Outliers 49
3.8 Analysis of variance 52
3.9 Comparison of several means 53
3.10 The arithmetic of ANOVA calculations 56
3.11 The chi-squared test 59
3.12 Testing for normality of distribution 61
3.13 Conclusions from significance tests 65
3.14 Bayesian statistics 66
Bibliography 69
Exercises 69
4 The quality of analytical measurements 74
4.1 Introduction 74
4.2 Sampling 75
4.3 Separation and estimation of variances using ANOVA 76
4.4 Sampling strategy 77
4.5 Introduction to quality control methods 78
4.6 Shewhart Charts for mean values 79
4.7 Shewhart Charts for ranges 81
4.8 Establishing the process capability 83
4.9 Average run length: CUSUM Charts 86
4.10 Zone control Charts G-charts) 89
4.11 Proficiency testing schemes 91
4.12 Method Performance studies (collaborative trials) 94
4.13 Uncertainty 98
4.14 Acceptance sampling 102
4.15 Method Validation 104
Bibliography 106
Exercises 107
5 Calibration methods in instrumental analysis:
regression and correlation 110
5.1 Introduction: instrumental analysis HO
5.2 Calibration graphs in instrumental analysis H2
5.3 The product-moment correlation coefficient H4
5.4 The line of regression of y on x 118
5.5 Errors in the slope and intercept of the regression line 119
5.6 Calculation of a concentration and its random error 121
5.7 Limits of detection 124
5.8 The method of Standard additions 127
5.9 Use of regression lines for comparing analytical methods 130
5.10 Weighted regression lines 135
5.11 Intersection of two straight lines 140
5.12 ANOVA and regression calculations 141
5.13 Introduction to curvilinear regression methods 142
5.14 Curvefitting 145
5.15 Outliers in regression 149
Bibliography 151
Exercises 151
6 Non-parametric and robust methods 154
6.1 Introduction 154
6.2 The median: initial data analysis 155
6.3 The sign test 160
6.4 The Wald-Wolfowitz runs test 162
6.5 The Wilcoxon signed rank test 163
6.6 Simple tests for two independent samples 166
6.7 Non-parametric tests for more than two samples 169
6.8 Rank correlation 171
6.9 Non-parametric regression methods 172
6.10 Introduction to robust methods 175
6.11 Simple robust methods: trimming and winsorisation 176
6.12 Further robust estimates of location and spread 177
6.13 Robust ANOVA 179
6.14 Robust regression methods 180
6.15 Re-sampling statistics 181
6.16 Conclusions 183
Bibliography and resources 184
Exercises 185
7 Experimental design and optimisation 186
7.1 Introduction 186
7.2 Randomisation and blocking 188
7.3 Two-way ANOVA 189
7.4 Latin Squares and other designs 192
7.5 Interactions 193
7.6 Identifying the important factors: factorial designs 198
7.7 Fractional factorial designs 203
7.8 Optimisation: basic principles and univariate methods 206
7.9 Optimisation using the alternating variable search method 208
7.10 The method of steepest ascent 210
7.11 Simplex optimisation 213
7.12 Simulated annealing 216
Bibliography and resources 217
Exercises 218
8 Multivariate analysis 221
8.1 Introduction 221
8.2 Initial analysis 222
8.3 Principal component analysis 224
8.4 Cluster analysis 228
8.5 Discriminant analysis 231
8.6 K-nearest neighbour method 235
8.7 Disjoint class modelling 236
8.8 Regression methods 237
8.9 Multiple linear regression 238
8.10 Principal component regression 241
8.11 Partial least-squares regression 243
8.12 Natural computation methods: artificial neural networks 245
8.13 Conclusions 247
Bibliography and resources 248
Exercises 248
Solutions to exercises 251
Appendix 1: Commonly used Statistical significance tests 261
Appendix 2: Statistical tables 264
Index 273
|
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| illustrated | Illustrated |
| indexdate | 2024-07-09T22:55:34Z |
| institution | BVB |
| isbn | 9780273730422 |
| language | English |
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| owner_facet | DE-19 DE-BY-UBM DE-29T |
| physical | XVI, 278 S. graph. Darst. 24 cm |
| publishDate | 2010 |
| publishDateSearch | 2010 |
| publishDateSort | 2010 |
| publisher | Pearson Prentice Hall |
| record_format | marc |
| spelling | Miller, James N. 1943- Verfasser (DE-588)1011519178 aut Statistics and chemometrics for analytical chemistry James N. Miller ; Jane C. Miller 6. ed. Harlow [u.a.] Pearson Prentice Hall 2010 Munich XVI, 278 S. graph. Darst. 24 cm txt rdacontent n rdamedia nc rdacarrier Literaturangaben Chemometrie (DE-588)4299578-4 gnd rswk-swf Statistik (DE-588)4056995-0 gnd rswk-swf Analytische Chemie (DE-588)4129906-1 gnd rswk-swf Statistik (DE-588)4056995-0 s Chemometrie (DE-588)4299578-4 s Analytische Chemie (DE-588)4129906-1 s DE-604 Miller, Jane C. 1944- Verfasser (DE-588)1011519372 aut HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=021210308&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Miller, James N. 1943- Miller, Jane C. 1944- Statistics and chemometrics for analytical chemistry Chemometrie (DE-588)4299578-4 gnd Statistik (DE-588)4056995-0 gnd Analytische Chemie (DE-588)4129906-1 gnd |
| subject_GND | (DE-588)4299578-4 (DE-588)4056995-0 (DE-588)4129906-1 |
| title | Statistics and chemometrics for analytical chemistry |
| title_auth | Statistics and chemometrics for analytical chemistry |
| title_exact_search | Statistics and chemometrics for analytical chemistry |
| title_full | Statistics and chemometrics for analytical chemistry James N. Miller ; Jane C. Miller |
| title_fullStr | Statistics and chemometrics for analytical chemistry James N. Miller ; Jane C. Miller |
| title_full_unstemmed | Statistics and chemometrics for analytical chemistry James N. Miller ; Jane C. Miller |
| title_short | Statistics and chemometrics for analytical chemistry |
| title_sort | statistics and chemometrics for analytical chemistry |
| topic | Chemometrie (DE-588)4299578-4 gnd Statistik (DE-588)4056995-0 gnd Analytische Chemie (DE-588)4129906-1 gnd |
| topic_facet | Chemometrie Statistik Analytische Chemie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=021210308&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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