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The dataset based on RamanBase (https://ramanbase.org/) integrated with iMai Optics Raman SDK-based app
This repository contains a draft open-source Python application used with iMai Optics Raman spectrometers and the dataset to work with it.
Key Features
Acquisition
- Integration time up to 60 seconds or more
- Single and continuous acquisition modes
- USB serial communication
Spectral Processing
- Automated baseline correction (ASLS algorithm)
- Savitzky–Golay denoising
- Region cropping
- Normalization
- Min–Max
- Vector normalization
Peak Analysis
- Automatic peak detection
- Adjustable prominence and width
- On-plot peak annotation
Spectral Identification
- Offline similarity search using the RamanBase database
- Supported similarity metrics:
- SAD (Spectral Angle Distance)
- SID (Spectral Information Divergence)
- MAE
- MSE
- Spearman correlation
- Peak-based IUR
- Top-N ranking
- Reference spectrum overlay
Hardware Compatibility
- Compatible with iMai Optics CCD Raman modules
- Tested with irm785
- Vendor resources:
Installation and usage
Download and unpack imai-raman-sdk.git
Install dependencies
pip install pyqt5 pyqtgraph ramanspy numpy scipy pandas
Assemble or download here (rbase_specdictcur.pkl) the dataset based on e.g. RamanBase (https://ramanbase.org/) and add to the app folder
See RBaseproc.ipynb for dataset assembly code to generate rbase_specdictcur.pkl.
The example dataset is provided in this repo.
Place the file rbase_specdictcur.pkl in the project root directory (an example file is provided).
Run the application
python Main.py
Usage
- Connect the iMai Optics Raman spectrometer via USB.
- Select the correct COM port and baudrate (default: 19200).
- Acquire spectra using Single Acquire or Continuous Acquire.
- Open the Process and Search Spectra dock to:
- Apply preprocessing
- Detect peaks
- Perform offline database search
- See overlap with the database spectra
- Use the Plot DB Spectrum and Set DB Spectrum for processing to examine the dataset spectra
Credits
- Based on the original Python SDK provided by iMai Optics
- Special thanks to iMai Optics for the spectrometer hardware
Status
⚠️ Work in progress
This project is under active development.
APIs, file formats, and functionality may change.
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