cwepr

cwepr is a Python package for processing and analysis of continuous-wave electron paramagnetic resonance (cw-EPR) spectra based on the ASpecD framework and focussing on reproducibility. In short: Each and every processing step applied to your data will be recorded and can be traced back, and additionally, for each representation of your data (e.g., figures, tables) you can easily follow how the data shown have been processed and where they originate from. What is even better: Actual data processing and analysis no longer requires programming skills, but is as simple as writing a text file summarising all the steps you want to have been performed on your dataset(s) in an organised way.

Version 0.4.0 released 2023-07-15

New features

• Add Frequency Correction with offset: This keeps the hyperfine splitting values.

• Amplitude sweep importer for Magnettech. Averaging of temperature and Q-Values of the single measurements. A warning is issued if the values vary too much.

• Implement Digital Filter into metadata.

• Data is imported according to its file extension specified in the recipe.

• Added support for cwepr-infofile version 0.1.5

• Handling of data from Magnettech-Files: The filtered first derivative spectrum is taken by its name by default. The parameter can be set to also import other data curves such as the second derivative or the sinus part.

Changes

• Extend cw-EPR primer: additional notes on recording spectra

Fixes

• Fix bug in analysis.FitOnData by using a helper dataset.

• Fix some metadata in magnettech importer (experiment.runs -> signal_channel.accumulations, correctly import spectrometer metadata, bring time stamp to same timezone.)

• Do range extraction and interpolation (instead of interpolation only) in GoniometerSweepImporter.

• Fix FieldCorrection to update correct axis and update metadata.

• Win-EPR importer makes less mistakes in guessing the unit of the field axis.