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Framework for handling spectroscopic data.

Project description

https://zenodo.org/badge/DOI/10.5281/zenodo.4717937.svg

ASpecD is a 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. Curious? Here is an example:

datasets:
  - /path/to/first/dataset
  - /path/to/second/dataset

tasks:
  - kind: processing
    type: BaselineCorrection
    properties:
      parameters:
        kind: polynomial
        order: 0
  - kind: singleplot
    type: SinglePlotter1D
    properties:
      filename:
        - first-dataset.pdf
        - second-dataset.pdf

For more general information on the ASpecD framework see its homepage, and for how to use it, its documentation.

Features

A list of features:

  • Framework for writing applications handling spectroscopic data
  • Consistent handling of numeric data and corresponding metadata
  • History of each processing step, automatically generated, aiming at full reproducibility
  • Undo and redo of processing steps
  • Import and export of data
  • Generic plotting capabilities, easily extendable
  • Report generation using pre-defined templates
  • Recipe-driven data analysis, allowing tasks to be performed fully unattended in the background and without programming skills

And to make it even more convenient for users and future-proof:

Warning

The ASpecD framework is currently under active development and still considered in Beta development state. Therefore, expect changes in features and public APIs that may break your own code. Nevertheless, feedback as well as feature requests are highly welcome.

Target audience

The ASpecD framework addresses every scientist working with data (both, measured and calculated) on a daily base and concerned with reproducibility. The ASpecD framework ensures reproducibility and—as much as possible—replicability of data processing, starting from recording data and ending with their final (graphical) representation, e.g., in a peer-reviewed publication. This is achieved by automatically creating a gap-less record of each operation performed on your data. If you do care about reproducibility and are looking for a system that helps you to achieve this goal, ASpecD may well be interesting for you.

License

This program is free software: you can redistribute it and/or modify it under the terms of the BSD License.

Project details


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