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Some spectral data not properly read. Tests and quality control. #1051

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tilfischer opened this issue Jan 22, 2024 · 0 comments
Open

Some spectral data not properly read. Tests and quality control. #1051

tilfischer opened this issue Jan 22, 2024 · 0 comments
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enhancement greater code or enhancement of existing feature

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@tilfischer
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Dear all,

Is your enhancement request related to a problem? Please describe.
Someone did upload https://doi.org/10.57992/NMRXIV.P56.S295 but didn't check all spectra of all samples, owing to the number of spectra within this dataset.

As it happened by chance, I picked one sample (the first in the list) https://doi.org/10.57992/nmrxiv.p56.s295 and recognized that the 2D spectra were not properly processed as well as the 13C, while the DEPT and 1H is ok. For testing I uploaded this sample again and it was properly processed by NMRium in nmrXiv, the processed spectra were read and the processed spectra are displayed to the user.

Describe the solution you'd like
This displays the need for some sort of quality control. Some testing should take place after upload to check whether all spectra uploaded were loaded correctly.

Btw: The data uploaded was obtained with Bruker TopSpin 4.1.1. and did include the processing parameters as well as the processed spectra.

Best,
Tillmann

@tilfischer tilfischer added the enhancement greater code or enhancement of existing feature label Jan 22, 2024
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