RamanSPy: an open-source Python package for integrative Raman spectroscopy data analysis
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Published version
Author(s)
Type
Journal Article
Abstract
Raman spectroscopy is a nondestructive and label-free chemical analysis technique, which plays a key role in the analysis and discovery cycle of various branches of science. Nonetheless, progress in Raman spectroscopic analysis is still impeded by the lack of software, methodological and data standardization, and the ensuing fragmentation and lack of reproducibility of analysis workflows thereof. To address these issues, we introduce RamanSPy, an open-source Python package for Raman spectroscopic research and analysis. RamanSPy provides a comprehensive library of tools for spectroscopic analysis that supports day-to-day tasks, integrative analyses, the development of methods and protocols, and the integration of advanced data analytics. RamanSPy is modular and open source, not tied to a particular technology or data format, and can be readily interfaced with the burgeoning ecosystem for data science, statistical analysis, and machine learning in Python. RamanSPy is hosted at https://github.com/barahona-research-group/RamanSPy, supplemented with extended online documentation, available at https://ramanspy.readthedocs.io, that includes tutorials, example applications, and details about the real-world research applications presented in this paper.
Date Issued
2024-05-28
Date Acceptance
2024-05-08
Citation
Analytical Chemistry, 2024, 96 (21), pp.8492-8500
ISSN
0003-2700
Publisher
American Chemical Society
Start Page
8492
End Page
8500
Journal / Book Title
Analytical Chemistry
Volume
96
Issue
21
Copyright Statement
© 2024 The Authors. Published by American Chemical Society. This publication is licensed under
CC-BY 4.0.
CC-BY 4.0.
License URL
Identifier
https://pubs.acs.org/doi/10.1021/acs.analchem.4c00383
Publication Status
Published
Date Publish Online
2024-05-15