Analysis of spectroscopic data using python
Title: Analysis of spectroscopic data using python
DNr: NAISS 2024/22-651
Project Type: NAISS Small Compute
Principal Investigator: Johan Söderström <>
Affiliation: Uppsala universitet
Duration: 2024-05-02 – 2025-06-01
Classification: 10302


Spectrosopic data from atoms and molecules often requires a detailed analysis in terms of curve-fitting as well as data curation. This is possible to do on a work laptop for a small number of parameters in a curve-fitting routine, however as the number of fit parameters increase so does the execution time - at present it increases beyond what is easily done locally. Using a combination of kits developed in-house as well as publicly available python libraries we will both reduce complex datasets stored in hd5f files down to 2D spectra, as well as to perform complex curve fitting on these spectra. The latter routines are very time consuming (depending on the complexity it can be up to 100's of hours of CPU time on a single core) since they typically are single-threaded and thus using a work computer makes this quite difficult. Having the opportunity to do this on an online cluster will make this work feasible.