raman-fitting

Fits Raman spectroscopy peaks using Lorentzian, Gaussian, or Voigt functions with quality validation.

Updated Feb 24, 2026
One-click install
npx skills add https://github.com/Zurybr/lefarma-skills --skill raman-fitting-zurybr
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: raman-fitting
Source: https://github.com/Zurybr/lefarma-skills/tree/main/letta/benchmarks/trajectory-only/raman-fitting
Command: npx skills add https://github.com/Zurybr/lefarma-skills --skill raman-fitting-zurybr

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill requires numpy, scipy, matplotlib, and includes references (resource) components.

What problem does it solve?

This Skill addresses the challenge of accurately fitting peaks in Raman spectroscopy data, which is crucial for material characterization, especially for materials like graphene.

Core Features & Use Cases

  • Peak Fitting: Applies Lorentzian, Gaussian, or Voigt functions to fit spectral peaks.
  • Data Validation: Includes checks for data quality, physical constraints, and fit quality metrics like R².
  • Use Case: Analyze a Raman spectrum of graphene to precisely determine the positions, widths, and intensities of the D, G, and 2D peaks for defect analysis.

Quick Start

Use the raman-fitting skill to fit the G peak in the provided spectrum data within the 1500-1650 cm⁻¹ range.

Frequently Asked Questions about raman-fitting

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I fit Raman spectroscopy peaks for graphene defect analysis?

To fit Raman spectroscopy peaks for graphene, you apply Lorentzian, Gaussian, or Voigt functions to spectral data. This process isolates the D, G, and 2D peaks to determine their precise positions, widths, and intensities for defect analysis.

What is the best way to subtract background noise from Raman spectroscopy data?

The best way to subtract background from Raman spectroscopy data is by applying procedural fitting steps that include baseline subtraction. This isolates the true spectral peaks before applying mathematical functions to fit the specific peak regions.

Which peak function should I use for Raman spectroscopy analysis: Lorentzian, Gaussian, or Voigt?

Choosing between Lorentzian, Gaussian, or Voigt functions for Raman spectroscopy analysis depends on your material's peak shapes. Voigt combines both, but you validate the correct choice by checking physical constraints and fit quality metrics like R² values.

How do I validate the quality of a Raman spectroscopy peak fit?

You validate Raman spectroscopy peak fit quality by checking the R² values and parameter plausibility against physical constraints. If the fit is poor, the procedure offers specific responses and adjustments to refine the fitting region or functions.

Can I use numpy and scipy for Raman spectroscopy data analysis?

Yes, you can use numpy and scipy for Raman spectroscopy data analysis as they are the core dependencies. They provide the mathematical foundation required to apply fitting functions and process spectral data arrays alongside matplotlib for visualization.

Why does my Raman spectroscopy peak fitting return poor R² values?

Raman spectroscopy peak fitting returns poor R² values when the fitting region is incorrectly defined or physical constraints are unmet. To resolve this, redefine the peak region, ensure accurate background subtraction, and select an appropriate peak function.