Spectroscopy

  1. Applications and Data Analysis
    1. Qualitative Analysis
      1. Compound Identification
        1. Spectral Fingerprinting
          1. Database Searching
            1. Library Matching
            2. Functional Group Analysis
              1. Characteristic Frequencies
                1. Group Identification
                2. Structural Elucidation
                  1. Molecular Structure Determination
                    1. Stereochemistry Analysis
                      1. Conformational Analysis
                      2. Purity Assessment
                        1. Impurity Detection
                          1. Spectral Purity
                        2. Quantitative Analysis
                          1. Concentration Determination
                            1. Calibration Methods
                              1. External Standard Method
                                1. Internal Standard Method
                                  1. Standard Addition Method
                                  2. Linear Range
                                    1. Detection Limits
                                    2. Kinetic Studies
                                      1. Reaction Monitoring
                                        1. Rate Constant Determination
                                          1. Mechanism Elucidation
                                          2. Equilibrium Studies
                                            1. Equilibrium Constants
                                              1. Thermodynamic Parameters
                                              2. Multi-component Analysis
                                                1. Simultaneous Determination
                                                  1. Spectral Deconvolution
                                                2. Spectral Databases and Libraries
                                                  1. Types of Databases
                                                    1. Commercial Databases
                                                      1. Public Databases
                                                        1. In-house Libraries
                                                        2. Search Algorithms
                                                          1. Peak Matching
                                                            1. Correlation Methods
                                                              1. Pattern Recognition
                                                              2. Database Maintenance
                                                                1. Quality Control
                                                                  1. Regular Updates
                                                                2. Chemometrics
                                                                  1. Data Preprocessing
                                                                    1. Baseline Correction
                                                                      1. Polynomial Fitting
                                                                        1. Asymmetric Least Squares
                                                                        2. Normalization
                                                                          1. Area Normalization
                                                                            1. Peak Normalization
                                                                            2. Smoothing
                                                                              1. Savitzky-Golay Smoothing
                                                                                1. Moving Average
                                                                                2. Derivative Spectroscopy
                                                                                  1. First Derivative
                                                                                    1. Second Derivative
                                                                                  2. Multivariate Analysis
                                                                                    1. Principal Component Analysis
                                                                                      1. Dimensionality Reduction
                                                                                        1. Variance Explanation
                                                                                          1. Score Plots
                                                                                            1. Loading Plots
                                                                                            2. Partial Least Squares Regression
                                                                                              1. Quantitative Modeling
                                                                                                1. Cross-Validation
                                                                                                  1. Prediction Accuracy
                                                                                                  2. Cluster Analysis
                                                                                                    1. Hierarchical Clustering
                                                                                                      1. K-means Clustering
                                                                                                      2. Discriminant Analysis
                                                                                                        1. Classification Methods
                                                                                                          1. Pattern Recognition
                                                                                                        2. Calibration Methods
                                                                                                          1. Univariate Calibration
                                                                                                            1. Multivariate Calibration
                                                                                                              1. Model Validation
                                                                                                                1. Outlier Detection
                                                                                                              2. Error Analysis and Method Validation
                                                                                                                1. Sources of Error
                                                                                                                  1. Systematic Errors
                                                                                                                    1. Random Errors
                                                                                                                      1. Instrumental Errors
                                                                                                                      2. Statistical Analysis
                                                                                                                        1. Precision
                                                                                                                          1. Accuracy
                                                                                                                            1. Confidence Intervals
                                                                                                                              1. Significance Testing
                                                                                                                              2. Method Validation
                                                                                                                                1. Linearity
                                                                                                                                  1. Range
                                                                                                                                    1. Precision
                                                                                                                                      1. Repeatability
                                                                                                                                        1. Reproducibility
                                                                                                                                        2. Accuracy
                                                                                                                                          1. Detection Limit
                                                                                                                                            1. Quantification Limit
                                                                                                                                              1. Robustness
                                                                                                                                                1. Ruggedness
                                                                                                                                                2. Quality Control
                                                                                                                                                  1. Control Charts
                                                                                                                                                    1. Reference Materials
                                                                                                                                                      1. Proficiency Testing
                                                                                                                                                        1. Method Comparison

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                                                                                                                                                    6. Other Spectroscopic Methods

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                                                                                                                                                    1. Fundamentals of Spectroscopy