Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Pre-processing issues #188

Open
CS76 opened this issue Jan 25, 2024 · 3 comments
Open

Pre-processing issues #188

CS76 opened this issue Jan 25, 2024 · 3 comments
Assignees

Comments

@CS76
Copy link
Member

CS76 commented Jan 25, 2024

Loaded
https://s3.uni-jena.de/nmrxiv/local/archive/f5077a50-513a-4595-9f42-92c5726e62f3/l-Linalool.zip

Initial:
nmrium-initial.json

After
nmrium.json

screencast.mov
@hamed-musallam
Copy link
Collaborator

hamed-musallam commented Jan 25, 2024

@CS76

It appears that there is an issue when remapping the nmrium object. It's wrong that x, im, and re are present in the info object instead of the expected data object. Additionally, you are still saving the modified information (info object) instead of the original information (originalInfo object)

The spectrum object should be similar to this

{
   data : { // x,re,im for 1D spectrum and rr,ii,ri,ir for 2D FT spectrum or re,im for 2D Fid spectrum },
   info: { // objects of the original information before we modified those information with the filters  } ,
   filter: []
   .... etc
  
 }

Screenshot 2024-01-25 at 21 38 13
Screenshot 2024-01-25 at 21 39 08

@tilfischer
Copy link
Member

Dear all,

for me this seems to be connected to NMRium requiring the processed spectra files in EXPNO/PDATA/PROCNO folder of Bruker NMR data (expect for some types which get automated processing in NMRium) and is connected to possibly also to this issue cheminfo/nmrium#2830 .

This processed spectra are not always present, because older version of TopSpin (somewhere between TopSpin 3.6 and 3.2) do not necessarily safe this type of data in a Bruker folder. Presumably the data providede above is from NMRShiftDB and they also have older data not having the processed spectra in PRCNO folders.

Best,
Tillmann

@CS76
Copy link
Member Author

CS76 commented Jun 25, 2024

@hamed-musallam - here is another case

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

3 participants