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bmrb-io / nmr-star-dictionary

The official NMR-STAR dictionary in use by the BMRB.
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_NMR_experiment_file.Name mandatoriness #12

Closed jonwedell closed 4 years ago

jonwedell commented 5 years ago

Should there be an override that makes _NMR_experiment_file.Name mandatory when either a directory with type Time-domain Data (raw spectral data) has been uploaded, or when _Experiment.Raw_data_flag is set to yes?

dmaziuk commented 5 years ago

When Maria creates a metabolomics entry, it includes the index of NMR experiments (there are always 10). The index comes from the script driving the NMR spectrometer, the actual filenames are implicit because we always run on Bruker and we know how it names them. Furthermore we put them in at the directory level: 1, 2, etc., and don't list individual files inside.

For your purposes you'll need a UI for entering this information. Possibly down to individual files inside subdirectories.

jonwedell commented 4 years ago

I believe this has been implemented a long time ago.