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ASpecD

Biskup, Till

ASpecD is a Python framework for handling spectroscopic data 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.

Released 2022-01-30

New features

  • aspecd.tasks.FigurereportTask for creating figure captions that can, e.g., be included in other documents
  • Attributes labelspacing and fontsize in aspecd.plotting.LegendProperties
  • Attribute output in aspecd.tasks.ModelTask controlling the type of output returned (dataset or model)
  • Method aspecd.model.Model.evaluate() for fast evaluation of models without any checks (useful in context of fitting)
  • Attribute dataset_type in aspecd.analysis.AnalysisStep to define type of calculated dataset that gets returned
  • aspecd.plotting.MultiPlotter1D and aspecd.plotting.MultiPlotter1DStacked with parameter "tight" for tight axes and "switch_axes" for switching axes
  • aspecd.plotting.SinglePlotter1D with parameter "switch_axes" for switching axes
  • aspecd.plotting.AxesProperties: angles of the axes tick labels can be set using the xticklabelangle and yticklabelangle properties

Changes

  • aspecd.processing.SliceExtraction sets dataset label to slice position
  • aspecd.processing.Averaging sets dataset label to averaging range

Fixes

  • Dataset importer does not override dataset label.
  • AnalysisSteps assign data to _origdata attribute if result is dataset
  • MultiprocessingTask correctly sets label of resulting datasets
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