What is it about?

ProSPyX is a graphical user interface (GUI) to process the spectral ptychography dataset. The software facilitates extracting absorption and phase spectral information from spectral ptychographic datasets. It also saves the spectra in file formats compatible with other X-ray absorption spectroscopy data analysis software tools, streamlining integration into existing spectroscopic data analysis pipelines.

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Why is it important?

Developing software for post-processing X-ray spectral ptychography is essential for several reasons. Firstly, software can make the post-processing process easier and quicker, leading to high-resolution images. Secondly, it can perform complex calculations and data analysis more accurately and consistently, producing reliable results. Finally, the software can be shared and used by multiple researchers, facilitating the sharing of data and results across institutions. Currently, to the best of our knowledge, there is no software that offers a complete post-processing pipeline, which is why we are introducing ProSPyX.


we plan to expand ProSPyX into full software for XANES ptychography by embedding processing and analysis functionalities, which can be found in established reference software for spectroscopy data. The added functionalities will offer more practicality to users, as they will have access to all the necessary tools within a single software package, eliminating the need to run multiple software tools simultaneously. Our vision is to introduce distinct tabs within ProSPyX. Data importation tab, XANES analysis tab where the user can extract essential information about the oxidation state, coordination environment, and bonding of elements within the sample. Data fitting tab that enables to perform curve fitting to derive quantitative information from XAS spectra. Spectral simulation tab where the users will have the capability to simulate X-ray absorption spectra based on theoretical models. This aids in the interpretation of experimental results and refines structural information. Finally, with the increasing availability of computational resources, it will be maybe convenient to introduce a machine learning tab that enables users to extract hidden information and patterns from XAS data, assisting in data analysis and interpretation. By incorporating these functionalities into ProSPyX, we aim to provide a comprehensive and user-friendly software platform for XANES ptychography, meeting the diverse needs of researchers and eliminating the need for multiple external software tools.

Institut Néel

Read the Original

This page is a summary of: ProSPyX: software for post-processing images of X-ray ptychography with spectral capabilities, Journal of Synchrotron Radiation, February 2024, International Union of Crystallography,
DOI: 10.1107/s160057752400016x.
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