2024/05/15 by Dimitar Georgiev, Simon Vilms Pedersen, Ruoxiao Xie +3 · 2 voices · 5 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Engineering · #Advanced Chemical Sensor Technologies #Spectroscopy Techniques in Biomedical and Chemical Research #Spectroscopy and Chemometric Analyses
paper · pdf · doi:10.1021/acs.analchem.4c00383
openalex publication_date 2024/05/15 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01
High Resolution Image Download MS PowerPoint Slide 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.