NMReData testing and import

NFDI4Chem / nmrxiv

nmrXiv is currently developed as the FAIR, consensus-driven NMR data repository and computational platform. The ultimate goal is to accelerate broader coordination and data sharing among researchers by enabling storage, management, sharing and analysis of NMR data.

https://nmrxiv.org

MIT License

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NMReData testing and import #903

Open CS76 opened 10 months ago

CS76 commented 10 months ago

Describe the bug Check if assignments are loading fine

NRayya commented 8 months ago

I tried with this Bruker dataset which includes NMReData file. I didn't get anything in the ranges table where the assignment is done. l-Linalool.zip

NRayya commented 7 months ago

After re-testing: There files that don't show assignment in NMRium but only the strucutre. These files have issue in the assignment block as the Hs are missing such as here:

(1) s0, 11.3, 30\ s1, 12.6, 27, 33\ s2, 16.3, 40\ comapared to H1, 7.2778, H1\ 1, 121.4541, 1\ H2, 7.7150, H2\ 2, 133.9140, 2\

NRayya commented 7 months ago

A second type of files show the assignment in NMRium but not in nmrXiv (tested in dev) such as this one:

[Uploading caryophyllene_oxide_full_assignments_hasError.zip…]()

to test, change the workspace in NMRium to "NMR spectra assignment", also if you try to reset the spectra it still doesn't work.