====== NMRAspecds ======

Reproducible analysis of NMR data based on the [[https://www.aspecd.de/|ASpecD framework]]

[[https://doi.org/10.5281/zenodo.13293054|{{zenodo.13293054.png}}]]

NMRAspecds is a Python package based on the [[https://www.aspecd.de/|ASpecD framework]] for handling data obtained using nuclear magnetic resonance (NMR) spectroscopy focussing on **reproducibility**. In short: Each and every processing step applied to your data will be recorded and can be traced back. 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? Have a look at [[https://docs.nmraspecds.de/|its documentation]].


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[[https://pypi.org/project/nmraspecds/|{{fa>cube?48}}]]

[[https://pypi.org/project/nmraspecds/|Package (pypi.org)]]
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[[https://docs.nmraspecds.de/|{{fa>book?48}}]]

[[https://docs.nmraspecds.de/|Documentation]]
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[[https://github.com/majrim-spc/nmraspecds|{{fa>github?48}}]]

[[https://github.com/majrim-spc/nmraspecds|Source (GitHub)]]
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===== License and citation =====

NMRaspecds is **free and open source** licensed under a [[.:license|BSD 2-clause license]]. However, if you use cwepr for your own research, please cite both, the article describing it and the software itself:

  * Mirjam Schröder, NMRAspecds (2025). [[https://doi.org/10.5281/zenodo.13293054|doi:10.5281/zenodo.13293054]]




===== News =====

Note: The most up-to-date information can be found in the [[https://docs.nmraspecds.de/changelog.html|changelog]] included in the [[https://docs.nmraspecds.de/|package documentation]].

  * 2025-01-12: **NMRAspecds v0.2.0 released**
    * [[https://github.com/majrim-spc/nmraspecds/releases/tag/v0.2.0|Changelog (GitHub)]]

  * 2024-08-11: **NMRAspecds v0.1.0 released**
    * [[https://github.com/majrim-spc/nmraspecds/releases/tag/v0.1.0|Changelog (GitHub)]]