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Applied chemometrics for scientists [[electronic resource] /] / Richard G. Brereton
Applied chemometrics for scientists [[electronic resource] /] / Richard G. Brereton
Autore Brereton Richard G
Pubbl/distr/stampa Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007
Descrizione fisica 1 online resource (397 p.)
Disciplina 542.30151
543.015195
Soggetto topico Chemometrics
Chemistry, Analytic
Soggetto genere / forma Electronic books.
ISBN 1-280-83864-7
9786610838646
0-470-05778-5
0-470-05777-7
Classificazione 35.05
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Applied Chemometrics for Scientists; Contents; Preface; 1 Introduction; 1.1 Development of Chemometrics; 1.1.1 Early Developments; 1.1.2 1980s and the Borderlines between Other Disciplines; 1.1.3 1990s and Problems of Intermediate Complexity; 1.1.4 Current Developments in Complex Problem Solving; 1.2 Application Areas; 1.3 How to Use this Book; 1.4 Literature and Other Sources of Information; References; 2 Experimental Design; 2.1 Why Design Experiments in Chemistry?; 2.2 Degrees of Freedom and Sources of Error; 2.3 Analysis of Variance and Interpretation of Errors
2.4 Matrices, Vectors and the Pseudoinverse2.5 Design Matrices; 2.6 Factorial Designs; 2.6.1 Extending the Number of Factors; 2.6.2 Extending the Number of Levels; 2.7 An Example of a Factorial Design; 2.8 Fractional Factorial Designs; 2.9 Plackett-Burman and Taguchi Designs; 2.10 The Application of a Plackett-Burman Design to the Screening of Factors Influencing a Chemical Reaction; 2.11 Central Composite Designs; 2.12 Mixture Designs; 2.12.1 Simplex Centroid Designs; 2.12.2 Simplex Lattice Designs; 2.12.3 Constrained Mixture Designs
2.13 A Four Component Mixture Design Used to Study Blending of Olive Oils2.14 Simplex Optimization; 2.15 Leverage and Confidence in Models; 2.16 Designs for Multivariate Calibration; References; 3 Statistical Concepts; 3.1 Statistics for Chemists; 3.2 Errors; 3.2.1 Sampling Errors; 3.2.2 Sample Preparation Errors; 3.2.3 Instrumental Noise; 3.2.4 Sources of Error; 3.3 Describing Data; 3.3.1 Descriptive Statistics; 3.3.2 Graphical Presentation; 3.3.3 Covariance and Correlation Coefficient; 3.4 The Normal Distribution; 3.4.1 Error Distributions; 3.4.2 Normal Distribution Functions and Tables
3.4.3 Applications3.5 Is a Distribution Normal?; 3.5.1 Cumulative Frequency; 3.5.2 Kolmogorov-Smirnov Test; 3.5.3 Consequences; 3.6 Hypothesis Tests; 3.7 Comparison of Means: the t-Test; 3.8 F-Test for Comparison of Variances; 3.9 Confidence in Linear Regression; 3.9.1 Linear Calibration; 3.9.2 Example; 3.9.3 Confidence of Prediction of Parameters; 3.10 More about Confidence; 3.10.1 Confidence in the Mean; 3.10.2 Confidence in the Standard Deviation; 3.11 Consequences of Outliers and How to Deal with Them; 3.12 Detection of Outliers; 3.12.1 Normal Distributions; 3.12.2 Linear Regression
3.12.3 Multivariate Calibration3.13 Shewhart Charts; 3.14 More about Control Charts; 3.14.1 Cusum Chart; 3.14.2 Range Chart; 3.14.3 Multivariate Statistical Process Control; References; 4 Sequential Methods; 4.1 Sequential Data; 4.2 Correlograms; 4.2.1 Auto-correlograms; 4.2.2 Cross-correlograms; 4.2.3 Multivariate Correlograms; 4.3 Linear Smoothing Functions and Filters; 4.4 Fourier Transforms; 4.5 Maximum Entropy and Bayesian Methods; 4.5.1 Bayes' Theorem; 4.5.2 Maximum Entropy; 4.5.3 Maximum Entropy and Modelling; 4.6 Fourier Filters; 4.7 Peakshapes in Chromatography and Spectroscopy
4.7.1 Principal Features
Record Nr. UNINA-9910143727003321
Brereton Richard G  
Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Applied chemometrics for scientists [[electronic resource] /] / Richard G. Brereton
Applied chemometrics for scientists [[electronic resource] /] / Richard G. Brereton
Autore Brereton Richard G
Pubbl/distr/stampa Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007
Descrizione fisica 1 online resource (397 p.)
Disciplina 542.30151
543.015195
Soggetto topico Chemometrics
Chemistry, Analytic
ISBN 1-280-83864-7
9786610838646
0-470-05778-5
0-470-05777-7
Classificazione 35.05
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Applied Chemometrics for Scientists; Contents; Preface; 1 Introduction; 1.1 Development of Chemometrics; 1.1.1 Early Developments; 1.1.2 1980s and the Borderlines between Other Disciplines; 1.1.3 1990s and Problems of Intermediate Complexity; 1.1.4 Current Developments in Complex Problem Solving; 1.2 Application Areas; 1.3 How to Use this Book; 1.4 Literature and Other Sources of Information; References; 2 Experimental Design; 2.1 Why Design Experiments in Chemistry?; 2.2 Degrees of Freedom and Sources of Error; 2.3 Analysis of Variance and Interpretation of Errors
2.4 Matrices, Vectors and the Pseudoinverse2.5 Design Matrices; 2.6 Factorial Designs; 2.6.1 Extending the Number of Factors; 2.6.2 Extending the Number of Levels; 2.7 An Example of a Factorial Design; 2.8 Fractional Factorial Designs; 2.9 Plackett-Burman and Taguchi Designs; 2.10 The Application of a Plackett-Burman Design to the Screening of Factors Influencing a Chemical Reaction; 2.11 Central Composite Designs; 2.12 Mixture Designs; 2.12.1 Simplex Centroid Designs; 2.12.2 Simplex Lattice Designs; 2.12.3 Constrained Mixture Designs
2.13 A Four Component Mixture Design Used to Study Blending of Olive Oils2.14 Simplex Optimization; 2.15 Leverage and Confidence in Models; 2.16 Designs for Multivariate Calibration; References; 3 Statistical Concepts; 3.1 Statistics for Chemists; 3.2 Errors; 3.2.1 Sampling Errors; 3.2.2 Sample Preparation Errors; 3.2.3 Instrumental Noise; 3.2.4 Sources of Error; 3.3 Describing Data; 3.3.1 Descriptive Statistics; 3.3.2 Graphical Presentation; 3.3.3 Covariance and Correlation Coefficient; 3.4 The Normal Distribution; 3.4.1 Error Distributions; 3.4.2 Normal Distribution Functions and Tables
3.4.3 Applications3.5 Is a Distribution Normal?; 3.5.1 Cumulative Frequency; 3.5.2 Kolmogorov-Smirnov Test; 3.5.3 Consequences; 3.6 Hypothesis Tests; 3.7 Comparison of Means: the t-Test; 3.8 F-Test for Comparison of Variances; 3.9 Confidence in Linear Regression; 3.9.1 Linear Calibration; 3.9.2 Example; 3.9.3 Confidence of Prediction of Parameters; 3.10 More about Confidence; 3.10.1 Confidence in the Mean; 3.10.2 Confidence in the Standard Deviation; 3.11 Consequences of Outliers and How to Deal with Them; 3.12 Detection of Outliers; 3.12.1 Normal Distributions; 3.12.2 Linear Regression
3.12.3 Multivariate Calibration3.13 Shewhart Charts; 3.14 More about Control Charts; 3.14.1 Cusum Chart; 3.14.2 Range Chart; 3.14.3 Multivariate Statistical Process Control; References; 4 Sequential Methods; 4.1 Sequential Data; 4.2 Correlograms; 4.2.1 Auto-correlograms; 4.2.2 Cross-correlograms; 4.2.3 Multivariate Correlograms; 4.3 Linear Smoothing Functions and Filters; 4.4 Fourier Transforms; 4.5 Maximum Entropy and Bayesian Methods; 4.5.1 Bayes' Theorem; 4.5.2 Maximum Entropy; 4.5.3 Maximum Entropy and Modelling; 4.6 Fourier Filters; 4.7 Peakshapes in Chromatography and Spectroscopy
4.7.1 Principal Features
Record Nr. UNINA-9910830136003321
Brereton Richard G  
Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Applied chemometrics for scientists / / Richard G. Brereton
Applied chemometrics for scientists / / Richard G. Brereton
Autore Brereton Richard G
Pubbl/distr/stampa Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007
Descrizione fisica 1 online resource (397 p.)
Disciplina 542.30151
543.015195
Soggetto topico Chemometrics
Analytical chemistry
ISBN 9786610838646
9781280838644
1280838647
9780470057780
0470057785
9780470057773
0470057777
Classificazione 35.05
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Applied Chemometrics for Scientists; Contents; Preface; 1 Introduction; 1.1 Development of Chemometrics; 1.1.1 Early Developments; 1.1.2 1980s and the Borderlines between Other Disciplines; 1.1.3 1990s and Problems of Intermediate Complexity; 1.1.4 Current Developments in Complex Problem Solving; 1.2 Application Areas; 1.3 How to Use this Book; 1.4 Literature and Other Sources of Information; References; 2 Experimental Design; 2.1 Why Design Experiments in Chemistry?; 2.2 Degrees of Freedom and Sources of Error; 2.3 Analysis of Variance and Interpretation of Errors
2.4 Matrices, Vectors and the Pseudoinverse2.5 Design Matrices; 2.6 Factorial Designs; 2.6.1 Extending the Number of Factors; 2.6.2 Extending the Number of Levels; 2.7 An Example of a Factorial Design; 2.8 Fractional Factorial Designs; 2.9 Plackett-Burman and Taguchi Designs; 2.10 The Application of a Plackett-Burman Design to the Screening of Factors Influencing a Chemical Reaction; 2.11 Central Composite Designs; 2.12 Mixture Designs; 2.12.1 Simplex Centroid Designs; 2.12.2 Simplex Lattice Designs; 2.12.3 Constrained Mixture Designs
2.13 A Four Component Mixture Design Used to Study Blending of Olive Oils2.14 Simplex Optimization; 2.15 Leverage and Confidence in Models; 2.16 Designs for Multivariate Calibration; References; 3 Statistical Concepts; 3.1 Statistics for Chemists; 3.2 Errors; 3.2.1 Sampling Errors; 3.2.2 Sample Preparation Errors; 3.2.3 Instrumental Noise; 3.2.4 Sources of Error; 3.3 Describing Data; 3.3.1 Descriptive Statistics; 3.3.2 Graphical Presentation; 3.3.3 Covariance and Correlation Coefficient; 3.4 The Normal Distribution; 3.4.1 Error Distributions; 3.4.2 Normal Distribution Functions and Tables
3.4.3 Applications3.5 Is a Distribution Normal?; 3.5.1 Cumulative Frequency; 3.5.2 Kolmogorov-Smirnov Test; 3.5.3 Consequences; 3.6 Hypothesis Tests; 3.7 Comparison of Means: the t-Test; 3.8 F-Test for Comparison of Variances; 3.9 Confidence in Linear Regression; 3.9.1 Linear Calibration; 3.9.2 Example; 3.9.3 Confidence of Prediction of Parameters; 3.10 More about Confidence; 3.10.1 Confidence in the Mean; 3.10.2 Confidence in the Standard Deviation; 3.11 Consequences of Outliers and How to Deal with Them; 3.12 Detection of Outliers; 3.12.1 Normal Distributions; 3.12.2 Linear Regression
3.12.3 Multivariate Calibration3.13 Shewhart Charts; 3.14 More about Control Charts; 3.14.1 Cusum Chart; 3.14.2 Range Chart; 3.14.3 Multivariate Statistical Process Control; References; 4 Sequential Methods; 4.1 Sequential Data; 4.2 Correlograms; 4.2.1 Auto-correlograms; 4.2.2 Cross-correlograms; 4.2.3 Multivariate Correlograms; 4.3 Linear Smoothing Functions and Filters; 4.4 Fourier Transforms; 4.5 Maximum Entropy and Bayesian Methods; 4.5.1 Bayes' Theorem; 4.5.2 Maximum Entropy; 4.5.3 Maximum Entropy and Modelling; 4.6 Fourier Filters; 4.7 Peakshapes in Chromatography and Spectroscopy
4.7.1 Principal Features
Record Nr. UNINA-9911019452303321
Brereton Richard G  
Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Chemical Kinetics, Stochastic Processes, and Irreversible Thermodynamics / / by Moisés Santillán
Chemical Kinetics, Stochastic Processes, and Irreversible Thermodynamics / / by Moisés Santillán
Autore Santillán Moisés
Edizione [1st ed. 2014.]
Pubbl/distr/stampa Cham : , : Springer International Publishing : , : Imprint : Springer, , 2014
Descrizione fisica 1 online resource (139 p.)
Disciplina 543.015195
Collana Lecture Notes on Mathematical Modelling in the Life Sciences
Soggetto topico Biomathematics
Probabilities
Chemometrics
Mathematical and Computational Biology
Probability Theory and Stochastic Processes
Math. Applications in Chemistry
ISBN 3-319-06689-7
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Brief Introduction to Chemical Kinetics -- Brief Introduction to Thermodynamics -- Different Approaches to Analyzing a Simple Chemical Reaction -- Molecule Synthesis and Degradation -- Enzymatic Reactions -- Receltor-Ligand Interaction -- Cooperativity -- Gene Expression and Regulation -- Ion Channel Dynamics and Ion Transport Across Memberanes -- References -- Index.
Record Nr. UNINA-9910299992903321
Santillán Moisés  
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2014
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Chemometric methods in analytical spectroscopy technology / / Xiaoli Chu [and three others]
Chemometric methods in analytical spectroscopy technology / / Xiaoli Chu [and three others]
Autore Chu Xiaoli
Pubbl/distr/stampa Singapore : , : Springer, , [2022]
Descrizione fisica 1 online resource (596 pages)
Disciplina 543.015195
Soggetto topico Spectrum analysis
ISBN 981-19-1625-X
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNINA-9910574042603321
Chu Xiaoli  
Singapore : , : Springer, , [2022]
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Chemometrics : data driven extraction for science / / Richard G. Brereton
Chemometrics : data driven extraction for science / / Richard G. Brereton
Autore Brereton Richard G.
Edizione [Second edition.]
Pubbl/distr/stampa Hoboken, New Jersey ; ; Chichester, West Sussex, England : , : Wiley, , 2018
Descrizione fisica 1 online resource (460 pages) : color illustrations, tables
Disciplina 543.015195
Soggetto topico Chemometrics - Data processing
Chemical processes - Statistical methods - Data processing
Soggetto genere / forma Electronic books.
ISBN 1-118-90468-0
1-118-90467-2
1-118-90469-9
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNINA-9910271043703321
Brereton Richard G.  
Hoboken, New Jersey ; ; Chichester, West Sussex, England : , : Wiley, , 2018
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Chemometrics : data driven extraction for science / / Richard G. Brereton
Chemometrics : data driven extraction for science / / Richard G. Brereton
Autore Brereton Richard G.
Edizione [Second edition.]
Pubbl/distr/stampa Hoboken, New Jersey ; ; Chichester, West Sussex, England : , : Wiley, , 2018
Descrizione fisica 1 online resource (460 pages) : color illustrations, tables
Disciplina 543.015195
Soggetto topico Chemometrics - Data processing
Chemical processes - Statistical methods - Data processing
ISBN 1-118-90468-0
1-118-90467-2
1-118-90469-9
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNINA-9910830008303321
Brereton Richard G.  
Hoboken, New Jersey ; ; Chichester, West Sussex, England : , : Wiley, , 2018
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Chemometrics : data driven extraction for science / Richard G. Brereton
Chemometrics : data driven extraction for science / Richard G. Brereton
Autore BRERETON, Richard G.
Edizione [2. ed.]
Pubbl/distr/stampa Hoboken (N.J.), : John Wiley & Sons, 2018
Descrizione fisica XVII, 439 p. : ill. ; 28 cm
Disciplina 543.015195
Soggetto topico Chemiometria - Metodi statistici
ISBN 978-1-118-90466-4
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNISA-996682476703316
BRERETON, Richard G.  
Hoboken (N.J.), : John Wiley & Sons, 2018
Materiale a stampa
Lo trovi qui: Univ. di Salerno
Opac: Controlla la disponibilità qui
Chemometrics and numerical methods in LIBS / / edited by Vincenzo Palleschi
Chemometrics and numerical methods in LIBS / / edited by Vincenzo Palleschi
Pubbl/distr/stampa Hoboken, New Jersey : , : John Wiley & Sons, Incorporated, , [2022]
Descrizione fisica 1 online resource (381 pages)
Disciplina 543.015195
Soggetto topico Chemometrics
Laser-induced breakdown spectroscopy
ISBN 1-119-75961-7
1-119-75957-9
1-119-75956-0
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Cover -- Title Page -- Copyright Page -- Contents -- List of Contributors -- Preface -- Introduction and Brief Summary of the LIBS Development -- Part I Introduction to LIBS -- Chapter 1 LIBS Fundamentals -- 1.1 Interaction of Laser Beam with Matter -- 1.2 Basics of Laser-Matter Interaction -- 1.3 Processes in Laser-Produced Plasma -- 1.4 Factors Affecting Laser Ablation and Laser-Induced Plasma Formation -- 1.4.1 Influence of Laser Parameters on the Laser-Induced Plasmas -- 1.4.2 Laser Wavelength (λ) -- 1.4.3 Laser Pulse Duration (τ) -- 1.4.4 Laser Energy (E) -- 1.4.5 Influence of Ambient Gas -- 1.5 Plasma Properties and Plasma Emission Spectra -- References -- Chapter 2 LIBS Instrumentations -- 2.1 Basics of LIBS instrumentations -- 2.2 Lasers in LIBS Systems -- 2.3 Desirable Requirements for Atomic Emission Spectrometers/Detectors -- 2.4 Spectrometers -- 2.4.1 Czerny-Turner Optical Configuration -- 2.4.2 Paschen-Runge Design -- 2.4.3 Echelle Spectrometer Configuration -- 2.5 Detectors -- 2.5.1 Photomultiplier Detectors -- 2.5.2 Solid-State Detectors -- 2.5.3 The Interline CCD Detectors -- 2.5.3.1 The Image Intensifier -- References -- Chapter 3 Applications of LIBS -- 3.1 Industrial Applications -- 3.1.1 Metal Industry -- 3.1.2 Energy Production -- 3.2 Biomedical Applications -- 3.3 Geological and Environmental Applications -- 3.4 Cultural Heritage and Archaeology Applications -- 3.5 Other Applications -- References -- Part II Simplications of LIBS Information -- Chapter 4 LIBS Spectral Treatment -- 4.1 Introduction -- 4.2 Baseline Correction -- 4.2.1 Polynomial Algorithm -- 4.2.2 Model-free Algorithm -- 4.2.3 Wavelet Transform Model -- 4.3 Noise Filtering -- 4.3.1 Wavelet Threshold De-noising (WTD) -- 4.3.2 Baseline Correction and Noise Filtering -- 4.4 Overlapping Peak Resolution.
4.4.1 Curve Fitting Method -- 4.4.2 The Wavelet Transform -- 4.5 Features Selection -- 4.5.1 Principal Component Analysis -- 4.5.2 Genetic Algorithm (GA) -- 4.5.3 Wavelet Transformation (WT) -- References -- Chapter 5 Principal Component Analysis -- 5.1 Introduction -- 5.1.1 Laser-Induced Breakdown Spectroscopy (LIBS) -- 5.2 The Principal Component Analysis (PCA) -- 5.3 PCA in Some LIBS Applications -- 5.3.1 Geochemical Applications -- 5.3.2 Food and Feed Applications -- 5.3.3 Microbiological Applications -- 5.3.4 Forensic Applications -- 5.4 Conclusion -- References -- Chapter 6 Time-Dependent Spectral Analysis -- 6.1 Introduction -- 6.2 Time-Dependent LIBS Spectral Analysis -- 6.2.1 Independent Component Analysis -- 6.2.2 3D Boltzmann Plot -- 6.2.2.1 Principles of the Method -- 6.3 Applications -- 6.3.1 3D Boltzmann Plot Coupled with Independent Component Analysis -- 6.3.2 Analysis of a Carbon Plasma by 3D Boltzmann Plot Method -- 6.3.3 Assessment of the LTE Condition Through the 3D Boltzmann Plot Method -- 6.3.4 Evaluation of Self-Absorption -- 6.3.5 Determination of Transition Probabilities -- 6.3.6 3D Boltzmann Plot and Calibration-free Laser-induced Breakdown Spectroscopy -- 6.4 Conclusion -- References -- Part III Classification by LIBS -- Chapter 7 Distance-based Method -- 7.1 Cluster Analysis -- 7.1.1 Introduction -- 7.1.2 Theory -- 7.1.2.1 K-means Clustering -- 7.1.2.2 Hierarchical Clustering -- 7.1.3 Application -- 7.2 Independent Components Analysis -- 7.2.1 Introduction -- 7.2.2 Theory -- 7.2.3 Application -- 7.3 K-Nearest Neighbor -- 7.3.1 Introduction -- 7.3.2 Theory -- 7.3.3 Application -- 7.4 Linear Discriminant Analysis -- 7.4.1 Introduction -- 7.4.2 Theory -- 7.4.2.1 The Calculation Process of LDA .(Two Categories) -- 7.4.3 Application.
7.5 Partial Least Squares Discriminant Analysis -- 7.5.1 Introduction -- 7.5.2 Theory -- 7.5.3 Application -- 7.6 Principal Component Analysis -- 7.6.1 Introduction -- 7.6.2 Theory -- 7.6.3 Application -- 7.7 Soft Independent Modeling of Class Analogy -- 7.7.1 Introduction -- 7.7.2 Theory -- 7.7.3 Application -- 7.8 Conclusion and Expectation -- References -- Chapter 8 Blind Source Separation in LIBS -- 8.1 Introduction -- 8.2 Data Model -- 8.3 Analyzing LIBS Data via Blind Source Separation -- 8.3.1 Second-order BSS -- 8.3.2 Maximum Noise Fraction -- 8.3.3 Independent Component Analysis -- 8.3.4 ICA for Noisy Data -- 8.4 Numerical Examples -- 8.5 Final Remarks -- References -- Chapter 9 Artificial Neural Networks for Classification -- 9.1 Introduction and Scope -- 9.2 Artificial Neural Networks (ANNs) -- 9.3 Cost Functions and Training -- 9.4 Backpropagation -- 9.5 Convolutional Neural Networks -- 9.6 Evaluation and Tuning of ANNs -- 9.7 Regularization -- 9.8 State-of-the-art LIBS Classification Using ANNs -- 9.9 Summary -- Acknowledgments -- References -- Chapter 10 Data Fusion: LIBS + Raman -- 10.1 Introduction -- 10.2 Data Fusion Background -- 10.3 Data Treatment -- 10.4 Working with Images -- 10.4.1 Vectors Concatenation -- 10.4.2 Vectors Co-addition -- 10.4.3 Vectors Outer Sum -- 10.4.4 Vectors Outer Product -- 10.4.5 Data Analysis -- 10.5 Applications -- 10.6 Conclusion -- References -- Part IV Quantitative Analysis -- Chapter 11 Univariate Linear Methods -- 11.1 Standards -- 11.2 Matrix Effect -- 11.3 Normalization -- 11.4 Linear vs Nonlinear Calibration Curves -- 11.5 Figures of Merit of a Calibration Curve -- 11.5.1 Coefficient of Determination -- 11.5.2 Root Mean Squared Error of Calibration -- 11.5.3 Limit of Detection -- 11.6 Inverse Calibration -- 11.7 Conclusion -- References.
Chapter 12 Partial Least Squares -- 12.1 Overview -- 12.2 Partial Least Squares Regression Algorithms -- 12.2.1 Nonlinear Iterative PLS -- 12.2.2 SIMPLS Algorithm -- 12.2.3 Kernel Partial Least Squares -- 12.2.4 Locally Weighted Partial Least Squares -- 12.2.5 Dominant Factor-based Partial Least Squares -- 12.3 Partial Least Squares Discriminant Analysis -- 12.4 Results of Partial Least Squares in LIBS -- 12.4.1 Coal Analysis -- 12.4.2 Metal Analysis -- 12.4.3 Rocks, Soils, and Minerals Analysis -- 12.4.4 Organics Analysis -- 12.5 Conclusion -- References -- Chapter 13 Nonlinear Methods -- 13.1 Introduction -- 13.2 Multivariate Nonlinear Algorithms -- 13.2.1 Artificial Neural Networks -- 13.2.1.1 Conventional Artificial Neural Networks -- 13.2.1.2 Convolutional Neural Networks -- 13.2.2 Other Nonlinear Multivariate Approaches -- 13.2.2.1 The Franzini-Leoni Method -- 13.2.2.2 The Kalman Filter Approach -- 13.2.2.3 Calibration-Free Methods -- 13.3 Conclusion -- References -- Chapter 14 Laser Ablation-based Techniques - Data Fusion -- 14.1 Introduction -- 14.2 Data Fusion of Multiple Analytical Techniques -- 14.2.1 Low-level Fusion -- 14.2.2 Mid-level Fusion -- 14.2.3 High-level Fusion -- 14.3 Data Fusion of Laser Ablation-Based Techniques -- 14.3.1 Introduction -- 14.3.2 Classification of Edible Salts -- 14.3.2.1 LIBS and LA-ICP-MS Measurements of the Salt Samples -- 14.3.2.2 Mid-Level Data Fusion of LIBS and LA-ICP-MS of Salt Samples -- 14.3.2.3 PLS-DA Classification Model for Salt Samples -- 14.3.3 Coal Discrimination Analysis -- 14.3.3.1 LIBS and LA-ICP-TOF-MS Measurements of the Coal Samples -- 14.3.3.2 Mid-Level Data Fusion of LIBS and LA-ICP-TOF-MS of Coal Samples -- 14.3.3.3 PCA Combined with K-means Cluster Analysis for Coal Samples -- 14.3.3.4 PLS-DA and SVM for Coal Samples Analysis.
14.4 Comments and Future Developments -- Acknowledgments -- References -- Part V Conclusions -- Chapter 15 Conclusion -- Index -- EULA.
Record Nr. UNINA-9910831166903321
Hoboken, New Jersey : , : John Wiley & Sons, Incorporated, , [2022]
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Chemometrics in Electroanalysis / / by José Manuel Díaz-Cruz, Miquel Esteban, Cristina Ariño
Chemometrics in Electroanalysis / / by José Manuel Díaz-Cruz, Miquel Esteban, Cristina Ariño
Autore Díaz-Cruz José Manuel
Edizione [1st ed. 2019.]
Pubbl/distr/stampa Cham : , : Springer International Publishing : , : Imprint : Springer, , 2019
Descrizione fisica 1 online resource (207 pages)
Disciplina 543.015195
Collana Monographs in Electrochemistry
Soggetto topico Electrochemistry
Analytical chemistry
Cheminformatics
Analytical Chemistry
Computer Applications in Chemistry
ISBN 3-030-21384-6
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Nota di contenuto Introduction -- Main characteristics and types of electrochemical data -- Exploratory data analysis -- Experimental design and optimization -- Calibration -- Model identification -- Expert systems in electroanalysis. .
Record Nr. UNINA-9910349517303321
Díaz-Cruz José Manuel  
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2019
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui