Data and lab management¶
Applying EPR spectroscopy on a daily basis makes it necessary to manage both, data and samples. Regardless whether only a few samples are investigated extensively and over a long time or whether many samples are investigated all in the same fashion: Reproducible research requires to be able to trace everything done to a single sample up to the final publication and vice versa. This requires a series of tools, in combination with and addition to a framework for data processing and analysis as highlighted above.
Tools developed by the author¶
During the last more than fifteen years, the author has spent quite some time thinking about reproducible research and the tools and infrastructure necessary to achieve this goal in a spectroscopy lab. The culmination of this is LabInform, a laboratory information system currently actively developed consisting of both, existing and proven open-source software components and additional own developments.
LabInform¶
Laboratory Information System
Infrastructure for reproducible research: electronic lab notebook (ELN), central data store, knowledge base, unique identifiers, and more. Together with the ASpecD framework and derived packages, it allows for full reproducibility of the own research. A demo of the wiki components can be found online (currently only in German).
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Python and others |
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development, beta |
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Documentation |
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Demo |
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Code |
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PyPI |
Reproducible Research¶
Ideas and tools for ensuring and implementing reproducibility in science
Reproducibility is the core of science and the scientific method. Unfortunately, too often it is not taken serious. Sometimes there is a lack of awareness, but more often it is due to a lack of ideas how to to meet the requirements.
The website reproducible-research.de introduces the topic, provides an overview of aspects of reproducibility, presents concepts how reproducibility in the everyday work in research could be implemented in general, and finally provides a series of tools helping scientists to cope with the requirement put forward by the scientific method.
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