ramanspy 0.0.1

RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis

RamanSPy

RamanSPy is an open-source Python package for integrative Raman spectroscopy data analysis.

Installation

RamanSPy has been published on PyPI and can be installed via pip:

pip install ramanspy

Code example

Below is a simple example of how RamanSPy can be used to load, preprocess and analyse Raman spectroscopic data. Here, we load a data file from a commercial Raman instrument; apply a preprocessing pipeline consisting of spectral cropping, cosmic ray removal, denoising, baseline correction and normalisation; perform spectral unmixing; and visualise the results.

import ramanspy as rp

# load data
image_data = rp.load.witec("<PATH>")

# apply a preprocessing pipeline
pipeline = rp.preprocessing.Pipeline([
    rp.preprocessing.misc.Cropper(region=(700, 1800)),
    rp.preprocessing.despike.WhitakerHayes(),
    rp.preprocessing.denoise.SavGol(window_length=9, polyorder=3),
    rp.preprocessing.baseline.ASPLS(),
    rp.preprocessing.normalise.MinMax()
])
data = pipeline.apply(image_data)

# perform spectral unmixing
nfindr = rp.analysis.unmix.NFINDR(n_endmembers=5)
amaps, endmembers = nfindr.apply(data)

# plot results
rp.plot.spectra(endmembers)
rp.plot.image(amaps)
rp.plot.show()

Documentation

For more information about the functionalities of the package, refer to the documentation.

Credits

If you find RamanSPy useful, please consider leaving a star on GitHub.