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A graphical application for analyzing mass spectral data and calculating Signal-to-Noise Ratio (SNR).
The MS_Spectrum_SNR provides an intuitive interface for loading and analyzing mass spectrometry data. It features:
- CSV file loading for mass spectral data
- Interactive SNR calculation
- Real-time visualization
- Error handling and validation
pip install numpy pandas matplotlib scipy- Supports CSV files with m/z and intensity values
- Automatic data validation
- Error handling for invalid files
- SNR calculation with customizable window size
- Real-time spectrum visualization
- Peak detection and marking
- Interactive matplotlib plots
- Clear peak and noise region highlighting
- Detailed result display
import tkinter as tk
from mass_spectrum_analyzer import MassSpectrumAnalyzer
root = tk.Tk()
app = MassSpectrumAnalyzer(root)
root.mainloop()- Load CSV file containing mass spectral data
- Enter target m/z value
- Set window size (default: 50 Da)
- Click "Calculate SNR"
- View results in the visualization window
The SNR is calculated using the formula:
SNR = Signal Height / Noise Standard Deviation
Where:
- Signal Height: Intensity at the target m/z value
- Noise Standard Deviation: Standard deviation of intensities outside the specified window
- Uses NumPy for efficient numerical operations
- Matplotlib for visualization
- Tkinter for GUI components
- Error handling for invalid inputs and edge cases
Contributions are welcome! Please submit pull requests with:
- Clear documentation of changes
- Updated tests if applicable
- Consistent code style
MIT License
Copyright (c) [2025] [Rohith Krishna]
Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.