Automating vibrational spectroscopy data preprocessing and multivariate analysis with MATLAB [E-Book] / author: Tanmoy Bhattacharjee
This Spotlight teaches the commands necessary to analyze spectroscopic data (Raman/FTIR) using MATLAB. It explains how to build an analysis routine step by step and perform preprocessing and multivariate analysis (PCA, PC-LDA, SVM, LOOCV, prediction) with a single click. The script at the end of the...
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Full text |
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Personal Name(s): | Bhattacharjee, Tanmoy, author |
Imprint: |
Bellingham, Washington :
SPIE,
2019
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Physical Description: |
1 online resource (VI, 93 pages) |
Note: |
englisch |
ISBN: |
9781510631250 |
DOI: |
10.1117/3.2543229 |
Series Title: |
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SPIE spotlight ;
SL52 |
Subject (LOC): |
- Preface
- 1. Background
- 2. Overview
- 3. MATLAB desktop
- 4. Note on array indexing and the "loop" function: 4.1. Array indexing; 4.2. "Loop" function
- 5. Basic preprocessing operations: 5.1. Importing a spectrum; 5.2. Separate wavenumbers from intensity; 5.3. Perform the first derivation; 5.4. Select a specific spectral range; 5.5. Area normalization
- 6. Automating preprocessing for multiple spectral files
- 7. Automating preprocessing for multiple files contained in multiple subfolders
- 8. Performing multivariate analysis: 8.1. Principal component analysis; 8.2. Principal component-linear discriminant analysis; 8.3. Support vector machine
- 9. PCA plotting
- 10. Turning features on and off
- 11. Note on MATLAB functions
- 12. Final note on how to best use the script
- 13. Common errors
- 14. Automating mean and standard deviations calculations: an example
- References