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chem-spectra-app

This backend web service provides NMR/IR/MS processing for jcamp/RAW/mzML files.

GitHub release (release name instead of tag name) Python 3.8 Testing

The frontend is provided by chem-spectra-client.

Install

see INSTALL.md

Run test
$ coverage run -m pytest --disable-pytest-warnings
$ coverage report

$ coverage run -m pytest --disable-pytest-warnings -k ./tests/test_spectra_im.py -k 'test_meta_1H' -vv

Demo & Manual

demo & step-by-step manual

Architecture

To see archicture, you can view it at ARCHITECTURE.md

Acknowledgments

This project has been funded by the DFG.

DFG Logo

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208 since 2020.