IR-Spectroscopy-Py-Reader 🔬

A simple Python-based infrared (IR) spectroscopy spectrum reader that processes spectral data from 4000 cm⁻¹ to 400 cm⁻¹. This tool helps identify IR peaks by calibrating wave numbers and detecting functional groups from an IR spectrum image, without internet !

Current Development Status

This project is still under modification ! It works, but it’s not perfect yet.

Missing Features:

❌ Peak strength detection – The script doesn’t yet classify peaks as strong, medium, or weak.
❌ Full functional group identification – Right now, it doesn't identify the end product.

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User Guide

1️⃣ Setup

• Download the folder.
• Delete the provided spectrum example and replace it with your own spectrum image.
• Make sure your file is named exactly as spectrum.jpg. (It has to be jpg, not jpeg, not png etc.)

2️⃣ Running the Script

• Launch the script within the folder using Command Prompt or Windows Terminal.
• Define key wave numbers by clicking on the x-axis on the image:
  • 4000 cm⁻¹, 3000 cm⁻¹, 2000 cm⁻¹, 1500 cm⁻¹, 1000 cm⁻¹, 600 cm⁻¹.
• The program will use these points to calibrate distances and improve peak detection accuracy.

3️⃣ Peak Identification

• Click on strong and medium peaks to analyze them - or on the peaks that seem really important.
• The script will return the functional group based on the wavenumber.

4️⃣ Exit

To exit the program, press Ctrl + C.

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