Use processing parameters in procpar to reprocess FIDs for Varian NMR data

[tilfischer]

Dear all,

Is your enhancement request related to a problem? Please describe.

For Varian NMR data NMRium displays the FID to the user, if not automated processing is taking place as this is the case e.g. for 1H NMR data. However, Varian NMR datasets also contain a procpar file, which could be used to reprocess the FID. Due to this, the user will not see the actually spectrum obtained after the initial processing of the FID.

Describe the solution you'd like

NMRium should eat the processing parameter file procpar 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 e.g. for 1H data.

Best,
Tillmann

[tilfischer]

Dear all,

I would like to add that Varian closed down in 2014. Is it legacy data we do not need to take care of? Certainly not! There are a lot of Varian spectrometers out there which are just 10-12 years old. This spectrometers will continue to produce data for at least the next 10-15 years.

As mentioned in #2830 , there would be less demand for automated processing if the procpars could be used by NMRium to reprocess the FID spectra.

Best,
Tillmann

[tilfischer]

An example why reprocessing based on processing parameter could be handy is shown in https://doi.org/10.57992/nmrxiv.p57 , which has a sample https://doi.org/10.57992/nmrxiv.p57.s378 with Varian data (1H, 13C, DEPT). The FID is shwon to the users, while the processed spectrum based on the procpar would be more useful.

[tilfischer]

Recent test data is available here: https://drive.google.com/file/d/1k2tlyS94_ZMIgUzRcV25hUU6Oygi3NlK/view?usp=sharing

[tilfischer]

Dear Luc and Jose,

you have possibly replied on the Varian issue in the Bruker issue. I quote your message here:

Varian 1D spectra with processing parameters Archive.zip
First step would be to parse the Varian proc file. @tilfischer would you have something the description of the file format ?

The spectrometer software is open source since some years, as Agilent decided to set it free: https://openvnmrj.github.io/ and https://github.com/OpenVnmrJ/OpenVnmrJ/ Lets say, using a Varian NMR spectrometer together with VnmrJ and NMRium is Open Source NMR. ;) They could probably help out with any information needed or the github repo tells it straight way.

Agilent also still provides a PDF VnmrJ Command and Parameter Reference.

Edit:
Link to a VNMR User Programming.

Best,
Tillmann