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SPARK: Spectroscopy Pump-Probe Analysis and Research Kit

PyPI version Documentation Status License: MIT

SPARK is an open-source Python suite for the comprehensive processing, analysis, and kinetic modeling of ultrafast spectroscopy data (TAS, FLUPS, and XTAS). It combines an intuitive Graphical User Interface (GUI) with a high-performance mathematical backend, designed to streamline data handling from standard table-top setups as well as Synchrotron and XFEL facilities.

Core Capabilities

  • Advanced Global Fitting: Powered by a Variable Projection (VarPro) engine using Trust Region Reflective optimization. Fits Parallel (DAS), Sequential (SAS), and Damped Oscillation models seamlessly.
  • Visual Kinetic Modeler: Build complex Jablonski/Grotrian kinetic schemes visually. Draw states and transitions to automatically generate and diagonalize custom K-matrices.
  • Robust Error Analysis: Computes true confidence intervals via Profile Likelihood mapping, going beyond standard covariance-based error estimation to ensure parameter identifiability.
  • Artifacts & Pre-processing: Automated chirp correction (polynomial and non-linear physical models), baseline corrections, and coherent artifact handling (Raman/XPM bases).
  • XFEL & Timescan Ready: Native support for batch-processing X-ray Free-Electron Laser and synchrotron .npy kinetic traces into fully calibrated 2D maps.
  • Publication-Ready Plotting: An integrated drag-and-drop plotting tool to customize and export high-resolution (600 DPI) vector figures ready for scientific journals.

Quick Start

Installation

Install SPARK directly via PyPI. We recommend using a virtual environment (like conda or venv) to ensure a clean installation of all UI and scientific dependencies.

pip install spark-spectroscopy

Launching the Application

Once installed, launch the main SPARK dashboard directly from your terminal:

spark-gui

(Note: If command-line entry points are not configured, you can launch the app by cloning the repository and running python main.py).

📖 Documentation

For detailed installation instructions, user tutorials, and the complete API reference, please visit the Official Documentation on Read the Docs.

📄 License

SPARK is distributed under the MIT License. See LICENSE for more information.