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API Service To Process Spectra from various data formats to NMRium format

The API uses the nmr-load-save package to process the spectra and playwright to load the NMRium from the deployed wrapper nmrium-react-wrapper and import the generated data to get the snapshots.

Secptra processing

Process and convert various data formats (from various manufacturers, JCAMP standard files, or NMReDATA format, Bruker) to NMRium format

POST /spectra-parser
Parameter Type Default Description
urls string[] Required. Spectra files URLs
snapshot boolean false Optional. Enable/dispable Spectra snapshot

Responses

{
  "data": {
      "source": object[],
      "spectra" : object[],
      "molecules" : object[],
      "version"    : number,
   },
  "images"    : {"id":string,"image":string}[]

}
The `source` attribute contains an array of spectra files relative paths.
The `spectra` attribute contains an array of spectra (1D and 2D).
The `molecules` attribute contains an array of molecules.
The `version` attribute contains the current version of the data which is crucial for data migration in NMRium
The `images` attribute contains a list of the images for the spectra which is processed and displayed by NMRium,
  where each object contains two attributes the `id` is the spectrum id and an `image` as a Base64 format.

⚠ WARNING: Data Conversion.
Data should be converted from a Typed Array to a Array, without this step the NMRium will not be able to load the spectra. version object is important for NMRium data migration.

Usage

Production

nodejs.nmrxiv.org

Development

nodejsdev.nmrxiv.org

Deployment

https://github.com/NFDI4Chem/nmrxiv-nodejs-microservice/wiki/Deployment

Helm chart

https://github.com/NFDI4Chem/repo-helm-charts/tree/main/charts/nmrxiv-nodejs-microservice

Maintained by

This project is developed and maintained by the NFDI4Chem partners at the Friedrich Schiller University Jena, Germany. The code for this web application is released under the MIT license.

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Acknowledgments

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

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