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User Guide and Tutorials

A comprehensive guide to using SCPY.

Contents:

• Introduction
  • About this user’s guide
  • What to do if questions arise
  • How to get started
  • Where to go next?
• Import & Export
  • Import Data in SpectroChemPy
  • Import IR Data
• Plotting
  • Sensible Defaults
  • Progressive Customization
  • Full Matplotlib Compatibility
  • Current Plotting Contract
  • Designed for Scientific Workflows
  • Structure of This Section
• Processing
  • Slicing NDDatasets
  • Basic transformations
  • Chemometric preprocessing
  • Mathematical operations
  • Filtering, Smoothing and Denoising
  • Baseline corrections
  • Denoising
  • Apodization
  • Time domain baseline correction (NMR)
  • One-dimensional (1D) Fourier transformation
  • Real Fourier transform
  • FTIR interferogram processing
  • Alignment of datasets
• Analysis
  • Peak Maxima Finding
  • Peak Analysis Workflow
  • Peak Integration
  • Fitting
  • Principal Component Analysis
  • Partial Least Squares Regression (PLSRegression)
  • MCR-ALS: Multivariate Curve Resolution with Alternating Least Squares
• Plugins
  • Quick example
  • Install and inspect plugins
  • Plugin pages
• API Configuration
  • General information
  • Loglevel
• Core objects
  • NDDataset
  • Project