Example’s gallery¶
Many examples on the use of the API can be found in this gallery.
Notebook and standalone python scripts can be downloaded using the link at the bottom of each example.
Please note that the number of examples is currently quite limited. We are actively working to improve this. If you have examples to suggest from your own use of spectrochempy, don’t hesitate to suggest them in the discussions or by creating a pull-request.
Table of Contents
Core functionalities¶
How to use NDDataset¶
NDDataset creation and plotting example
Import / Export¶
Loading an IR (omnic SPG) experimental file
Loading of experimental 1D NMR data
Loading RAMAN experimental file
Plotting datasets¶
Using plot_multiple to plot several datasets on the same figure
Introduction to the plotting librairie
Project Management¶
Analysis NDDataset¶
Decomposition¶
EFA (Keller and Massart original example)
MCR-ALS example (adapted from Jaumot et al. 2005)
MCR-ALS with kinetic constraints
Cross-decomposition¶
Curvefitting¶
Solve a linear equation using LSTSQ
Baseline¶
Processing NDDataset¶
Apodization¶
Exponential window multiplication
Sine bell and squared Sine bell window multiplication
Denoising¶
Removing cosmic ray spikes from a Raman spectrum
filtering¶
Savitky-Golay and Whittaker-Eilers smoothing of a Raman spectrum
Processing NMR datasets¶
Processing NMR spectra (slicing, baseline correction, peak picking, peak fitting)
Processing Relaxation measurement