skultrafast is a Python package for ultrafast spectroscopy data analysis. It provides tools for analyzing various types of time-resolved spectroscopy data, including pump-probe, transient absorption, and two-dimensional infrared (2D-IR) spectroscopy. The package includes functionality for data import, visualization, processing, and fitting. It is built on top of the scientific Python ecosystem, including NumPy, SciPy, and Matplotlib.
The latest version of the package is available on github. A build of the documentation can be found at Read the docs. The documentation includes Installtion notes.
The package was created and is maintained by Till Stensitzki. The package was created while being employed in the Heyne group and was therefore founded by the DFG via SFB 1078 and SFB 1114. Recent development focussed on 2D-spectroscopy is part of my stay in the Ultrafast Structual Dynamics Group in Potsdam under Müller-Werkmeister.
I like to include any kind of algorithm or data structure which comes up in ultrafast spectropy. I am also open to add a graphical interface to the package, but as experience shows, a GUI brings in a lot of maintenance burden. Hence, the first target is a interactive data-explorer for the jupyter notebook.
This package also tries its best to follow modern software practices. This includes version control using git, continues integration testing via github action and a decent documentation hosted on Read the docs.
The current releases centers around working with time-resolved spectra:
- Generate publication-ready plots with minimal effort.
- Perform global fitting of transient data, including DAS, SAS, and compartment modeling.
- Analyze polarization-resolved datasets.
- Easily process data by selecting, filtering, and recalibrating it.
- Correct dispersion automatically in the case of chirped spectra.
- Obtain accurate error estimates for fitting results using lmfit <http://lmfit.github.io/lmfit-py/>_.
- Analyze lifetime-density using regularized regression.
- Analyze 2D spectroscopy data, including CLS-decay, diagonal extraction, pump-slice-amplitude spectrum, integration, and Gaussian fitting.
At the moment it is mostly me and other people in my groups. I would be happy if anyone would like to join the project!
If you use this package in your research, please cite the zenodo entry at the top.
Standard BSD-License. See the LICENSE file for more details.