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

Fuente: arXiv
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Main Authors: Georgiev, Dimitar, Pedersen, Simon Vilms, Xie, Ruoxiao, Fernández-Galiana, Álvaro, Stevens, Molly M., Barahona, Mauricio
Format: Preprint
Published: 2023
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author Georgiev, Dimitar
Pedersen, Simon Vilms
Xie, Ruoxiao
Fernández-Galiana, Álvaro
Stevens, Molly M.
Barahona, Mauricio
author_facet Georgiev, Dimitar
Pedersen, Simon Vilms
Xie, Ruoxiao
Fernández-Galiana, Álvaro
Stevens, Molly M.
Barahona, Mauricio
contents Raman spectroscopy is a non-destructive 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 standardisation, 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 ready-to-use tools for spectroscopic analysis, which streamlines day-to-day tasks, integrative analyses, as well as novel research and algorithmic development. 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.
format Preprint
id arxiv_https___arxiv_org_abs_2307_13650
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis
Georgiev, Dimitar
Pedersen, Simon Vilms
Xie, Ruoxiao
Fernández-Galiana, Álvaro
Stevens, Molly M.
Barahona, Mauricio
Materials Science
Mathematical Software
Data Analysis, Statistics and Probability
Raman spectroscopy is a non-destructive 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 standardisation, 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 ready-to-use tools for spectroscopic analysis, which streamlines day-to-day tasks, integrative analyses, as well as novel research and algorithmic development. 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.
title RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis
topic Materials Science
Mathematical Software
Data Analysis, Statistics and Probability
url https://arxiv.org/abs/2307.13650