Use processing parameters in proc/procs to reprocess FIDs for Bruker NMR data
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Description
Dear all,
**Is your enhancement request related to a problem? Please describe.**
NMRium actually already accepts Bruker data only consisting of the fid and acqus file. For some types of data such as 1H NMR automated processing takes place and the processed spectrum is displayed. Nice feature! Thank you for that! If not automated processing takes place, the FID is shown and users may reprocess the data.
In IconNMR one might also decide to save Bruker data only having the processing parameters in procno but not the processed spectra (1r/1i, 1D case). In such a case, NMRium does not seem to eat the proc/procs in procno but starts its automated processing with its own parameters or displays the FID, if automated processing for this type of data is not implemented in NMRium yet.
I am also aware of operators using TopSpin, doing manual processing and using and script after saving the data to remove the processed spectra again, while keeping the processing parameters proc/procs. Possibly, this is due to the fact that they want to save disk space (no joke) and that they were used not to have processed spectra in their dataset as they used Varian instruments for decades. I must actually also agree that this is the more elegant solution, as the processed spectra could be reobtained from the FID and processing parameters anyhow.
Overall, I currently see three different types of (current) Bruker data: 1) No pdata/procno (see first paragraph) 2) Only processing parameters in procno. 3) Processing parameters and processing spectra in procno.
For 1) users may reprocess by themself or NMRium offers automated processing. For 3) NMRium might read the 1r/1i (1D case) as it is already the case but for 2) NMRium should actually read the processing parameters to reprocess the spectra. In Bruker TopSpin, this is done with ``trf``.
Moreover, there would be less demand for automated processing of NMRium would reprocess the FID using the processing parameters, if not processed spectra are available, case ``2)`` + Varian, see https://github.com/cheminfo/nmrium/issues/2829.
**Describe the solution you'd like**
NMRium should eat the processing parameter file proc/proc to reprocess the FID and display the processed spectrum to the users.
**Describe alternatives you've considered**
NMRium could also ask the user whether to use the processing parameters uploaded or do automated processing based on own parameters, as this is already the case for 1H data.
Best,
Tillmann
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