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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?
• API Configuration
  • General information
  • Loglevel
• Core objects
  • NDDataset
  • Project
  • Script
• Import & Export
  • Import Data in SpectroChemPy
  • Import IR Data
• Processing
  • Slicing NDDatasets
  • Basic transformations
  • 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 Integration
  • Fitting
  • Principal Component Analysis
  • Partial Least Squares Regression (PLSRegression)
  • MCR ALS
• Plotting
  • Load the API
  • Loading the data
  • Preparing the data
  • Selecting the output window
  • Default plotting
  • Changing the aspect of the plot
  • Adding titles and annotations
  • Changing the plot style using matplotlib style sheets
  • Create your own style
  • Changing the type of plot
  • Plotting 1D datasets
  • Plotting several dataset on the same figure
  • Overview of the main configuration parameters