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Automating vibrational spectroscopy data preprocessing and multivariate analysis with MATLAB®

Author: Tanmoy Bhattacharjee; Society of Photo-optical Instrumentation Engineers,
Publisher: Bellingham, Washington (1000 20th St. Bellingham WA 98225-6705 USA) : SPIE, 2019.
Series: SPIE spotlight, SL52.
Edition/Format:   eBook : Document : English
Summary:
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 pre-processing and multivariate analysis with a single click. The script for support vector machines (SVMs) is also briefly addressed so that readers can build a script tailored to their own laboratory routine.
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Details

Genre/Form: Electronic books
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Tanmoy Bhattacharjee; Society of Photo-optical Instrumentation Engineers,
ISBN: 9781510631250 1510631259 9781510631267 1510631267 9781510631274 1510631275
OCLC Number: 1120072836
Description: 1 online resource (vi, 93 pages).
Contents: 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.
Series Title: SPIE spotlight, SL52.
Responsibility: by Tanmoy Bhattacharjee.

Abstract:

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 pre-processing and multivariate analysis with a single click. The script for support vector machines (SVMs) is also briefly addressed so that readers can build a script tailored to their own laboratory routine.

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