RAVE MS

⚗️ About

RAVE MS is a web application that provides a series of pre-programmed protocols and commands to the SIELC Alltesta™ (https://sielc.com/alltesta-gradient-automated-analyzer) as well as custom data analytics to analyze results from direct injection mass spectrometry.

Features

• Protocol Automation: Execute a range of pre-defined protocols to screen relative compound amounts across various well plate configurations.
• Customizable Parameters: Tailor sampling procedures with adjustable settings, including:
  • Number of samples per well
  • Dwell time
  • Duplicate sampling options
• Basic Control Commands: Perform essential Alltesta™ operations such as:
  • Needle positioning
  • Plate movement
  • Needle height adjustments
  • Needle head recalibration
• Data Analytics: Analyze results with built-in functionalities, including:
  • Peak picking
  • Signal smoothing
  • Well-specific signal matching
  • Calculation of average and maximum intensity outputs

📂 Repository Structure

The repository is organized as follows:

• app/: Contains the source code for the web application.
• app/assests/: Contains the icons, css, and js.
• app/callbacks/: Contains dash callbacks separated by which web application tab they correspond to.
• app/classes/: Contains the Autosampler Class to connect to the Alltesta™ and send serial commands.
• app/components/: Contains custom Dash layout components.
• app/functions/: Contains functions separated by which web application tab they correspond to.

🛠️ Installation

To install the necessary dependencies, run the following command:

pip install -r requirements.txt

🚀 Usage

To start the application, use the following command:

python app.py

The application will be available at http://localhost:8603.

📄 License

This project is licensed under the MIT License. See the LICENSE file for more details.

☎️ Contact

If you have any questions or feedback, please reach out to sarah.moor@merck.com.