ASpecD Version 0.4.0

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 2021-10-08

Note: Starting with this release ASpecD requires Python >= 3.7.

New features

• Tasks/Recipe-driven data analysis

  • New attribute aspecd.tasks.PlotTask.target allows adding a plot to an already existing plot.
  • aspecd.tasks.Task.to_dict adds (implicit) parameters of underlying task object
  • Classes from the ASpecD framework can be used without prefixing them with "aspecd" in recipes with "default_package" set to a package based on the ASpecD framework.
  • serve command outputs log messages for each task
  • Command-line options for serve setting the log level/verbosity
  • Catching of errors, excluding the stack trace and only showing the error message (but full stack trace in verbose mode)
  • Switch in recipe to suppress writing history (for development/debugging, issuing warning on the command line via logging)
  • New structure of recipes: Move default_package and autosave_plots to new dict settings; output_directory and datasets_source_directory to new dict directories
  • Add format dict to recipe with fields type and version
  • Automatically convert old recipe formats within aspecd.io.RecipeYamlImporter
  • Processing steps writing parameters during execution and applied to multiple datasetes are unpacked in the recipe history if these parameters change for each dataset

• References in processing and analysis steps and models (using bibrecord package)