Processing NDDataset

Apodization

This section contains examples of how to apply apodization functions to NDDatasets.

Exponential window multiplication

Exponential window multiplication

Sine bell and squared Sine bell window multiplication

Sine bell and squared Sine bell window multiplication

Baseline

This section contains examples of how to correct the baseline of NDDatasets.

NDDataset baseline correction

NDDataset baseline correction

Denoising

This section contains examples of how to denoise NDDatasets.

Denoising a 2D Raman spectrum

Denoising a 2D Raman spectrum

Removing cosmic ray spikes from a Raman spectrum

Removing cosmic ray spikes from a Raman spectrum

Filtering

This section contains examples of how to filter NDDatasets.

Savitky-Golay and Whittaker-Eilers smoothing of a Raman spectrum

Savitky-Golay and Whittaker-Eilers smoothing of a Raman spectrum

Compare smoothing window sizes on a Raman spectrum

Compare smoothing window sizes on a Raman spectrum

NMR processing (plugin-based)

Note

These examples require the official spectrochempy-nmr plugin.

Install it with:

pip install spectrochempy[nmr]

See Plugins for more information.

Analysis CP NMR spectra

Analysis CP NMR spectra

Processing NMR spectra (slicing, baseline correction, peak picking, peak fitting)

Processing NMR spectra (slicing, baseline correction, peak picking, peak fitting)

Processing Relaxation measurement

Processing Relaxation measurement

NMR: reading TopSpin files (plugin)

NMR: reading TopSpin files (plugin)

Processing Raman datasets

Processing RAMAN spectra

Processing RAMAN spectra

Transformations

This section contains examples of common masking, transposition, and unit conversion workflows on NDDatasets.

Mask a saturated region and transform an IR dataset

Mask a saturated region and transform an IR dataset

Chemometric preprocessing

Chemometric preprocessing

Preprocessing transformers and scikit-learn compatibility

Preprocessing transformers and scikit-learn compatibility