Raman Spectra Preprocessing and Non-Negative Least Squares Modelling in Python: Monitoring Zeolite Crystallization

This tutorial demonstrates how to preprocess Raman spectra data and apply Non-Negative Least Squares (NNLS) modeling in Python. It uses real data from an in situ interzeolite conversion to monitor zeolite crystallization. The workflow includes loading data from a NeXus file, cropping and interpolating the spectra, and removing cosmic ray spikes using a custom function. Finally, the processed spectra are used with NNLS to deconvolve the signal and track the relative evolution of different crystalline phases over time.