raman-fitting

Raman peak fitting for graphene extracts G, D, and 2D peak positions, widths, and intensities using constrained numerical fitting. It supports Lorentzian, Gaussian, Voigt, and pseudo-Voigt models to resolve overlapping peaks and return parameters with uncertainties and goodness-of-fit metrics.

Baseline correction for Raman spectroscopy data uses linear, polynomial, and asymmetric least squares methods. Selecting the appropriate baseline subtraction approach ensures accurate multi-peak deconvolution by removing background interference before fitting spectral peaks.

Fitting overlapping Raman peaks enforces physical parameter bounds for peak positions and FWHM, alongside positivity constraints for intensities. This constrained fitting approach ensures physically valid results and includes residual analysis to check if parameters hit bounds.

Raman peak fitting validation calculates R² scores and performs residual analysis to verify fit quality. It checks fitted parameters against expected graphene material signatures and flags instances where physical bounds are hit, ensuring robust fit diagnostics.

Raman peak fitting supports both research publication and quality control scenarios for carbonaceous materials. It provides modular fitting functions and sanity-check utilities to ensure reproducible analyses, returning fitted parameters with uncertainties suitable for rigorous scientific validation.