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 !
This project is still under modification ! It works, but it’s not perfect yet.
❌ 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.
- 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.)
- 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.
- 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.
To exit the program, press Ctrl + C.