This directory contains both, raw data and analysis "recipes" used to analyse the EPR data for the following publication:
- Emmy Järsvall, Till Biskup, Yadong Zhang, Renee Kroon, Stephen Barlow, Seth Marder, Christian Müller: Double doping of a low-ionization energy polythiophene with a molybdenum dithiolene complex. Chemistry of Materials, 34:5673-5679, 2022, doi:10.1021/acs.chemmater.2c01040
All (raw) data and accompanying metadata are contained in the data directory, and the figures created reside in the figs directory. The recipes used for data analysis (the YAML files) are located in the root directory.
The analysis of the EPR data relies on the cwepr Python package (documentation) that itself is based on the ASpecD framework (documentation).
To (re-)run the analysis, install the cwepr Python package (best within a Python virtual environment)
pip install cwepr
and call
serve <recipe>
for each of the recipe files (YAML files) in the root directory. This will (re-)run the analysis and store the resulting figures to the figs directory. Details of the analysis can be found in the automatically created "history recipes" (those with the timestamp suffix).
All files are available under a Creative Commons Attribution 4.0 International license.