Processing NDDataset

Apodization

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

Exponential 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

Denoising

This section contains examples of how to denoise NDDatasets.

Denoising a 2D 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

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.

The currently validated public workflow is centered on 1D NMR data. Longer-running multi-dimensional or pseudo-2D characterization examples may exist in the repository, but they are not part of the public supported processing scope at this stage.

Analysis CP NMR spectra

Processing a 1D NMR spectrum

Two-dimensional NMR processing

Processing Relaxation measurement

NMR: reading TopSpin files (plugin)

Processing Raman datasets

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

Chemometric preprocessing

Preprocessing transformers and scikit-learn compatibility