PySpecTrace: Python-based Graphical User Interface (GUI) for Real-time UV-Vis-NIR Spectroscopy Analysis

PySpecTrace is an open-source, Python-based graphical user interface (GUI) designed for real-time UV-visible-NIR spectroscopy data analysis. It addresses the limitations of proprietary spectrometer software by providing advanced, customizable, and real-time spectral tracking and analysis tools suitable for a wide range of scientific disciplines.

How to Install and Run

• Detailed steps for installation and running documented in the Manual: PySpecTrace_Manual.pdf

Extra Documentation

• Repository: https://github.com/anamsigit/pyspectrace
• Supporting information: PySpecTrace_SI.pdf
• Demonstration video: Google drive

Key Features

• Real-time spectral visualization: Enables immediate monitoring of spectral changes during experiments.
• Dynamic spectral tracing and peak tracking: Utilizes adaptive fitting routines to identify and track spectral features live.
• Flexible configuration: User-friendly GUI includes panels for spectrometer connection, settings, data display, and analysis.
• Spectral post-processing: Offers robust data analysis capabilities for in-depth interpretation.
• Spectrometer Simulator: Supports testing without physical hardware, facilitating development and training.
• Modular and adaptable: Compatible with any spectrometer via appropriate driver interfaces; easily customizable for various experimental needs.

Architecture

• Built on a Model-View-Presenter (MVP) pattern for maintainability and scalability.
• Uses popular Python libraries including PyQt5, NumPy, SciPy, Pandas, Matplotlib, and PyqtGraph.

List of working spectrometers

PySpecTrace v.1.0.0 has been tested and working seamlessly with these commercial spectrometers (on Windows OS):

Ocean optics:

• Maya PRO2000
• HR 4000CG-UV-NIR
• USB4000

Avantes:

• AvaSpec-ULS4096CL-EVO

CNI:

• Aurora 4000

Please add to the list if you have found that it works in your spectrometer. It will be a nice information for new user.

Corresponding contact

• Feel free to contact us via Iwan Darmadi (email:iwan.darmadi@alumni.ui.ac.id)

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Sigit Khoirul Anam, Suwardi, Andrea Baldi, Ferry Anggoro Ardy Nugroho, Iwan Darmadi