Comprehensive Open-Source Ecosystem for Raman and SERS Spectroscopy: Introducing SpectraGuru.

Raman and Surface-Enhanced Raman Scattering (SERS) spectroscopy are powerful techniques for molecular identification and characterization, yet widespread adoption is often limited by the lack of accessible, standardized tools for preprocessing, analysis, and data management. Here, we introduce SpectraGuru, an open-source web-based platform designed to provide a comprehensive ecosystem for Raman and SERS research. SpectraGuru integrates a modular workflow for data upload, interactive preprocessing, advanced statistical analysis, and visualization, all accessible through a user-friendly browser interface. The platform's key contributions include a fully open-source, web-based system; comprehensive preprocessing and analysis tools covering tasks such as interpolation, despiking, baseline correction, normalization, peak identification, and multivariate methods like hierarchical clustering, Principal Component Analysis (PCA), and t-distributed stochastic neighbor embedding (t-SNE); and an integrated PostgreSQL database that supports FAIR (Findable, Accessible, Interoperable, Reusable) storage of spectra and metadata to enhance reproducibility and data sharing. Demonstrations with experimental data sets showcase SpectraGuru's ability to transform raw spectra into clean, interpretable data and to reveal meaningful patterns across diverse analytes. By addressing challenges in preprocessing standardization, database integration, and analytical flexibility, SpectraGuru aims to accelerate spectral research and foster community-driven development in Raman and SERS spectroscopy.