cheminfo / convert-to-jcamp

Convert strings into JCAMP
https://cheminfo.github.io/convert-to-jcamp/
MIT License
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Need code example to simplify a jcamp #60

Open lpatiny opened 1 year ago

lpatiny commented 1 year ago

Sometimes the JCAMP-DX generated by Bruker is quite verbose and we would like to keep only the important parameters and only the real data.

@jobo322 Please could you try to make a script that loads the following spectrum, keep only from -0.5 to 10.5 ppm, keep only the real part and save the spectrum (not as a ntuples but simple XYDATA JCAMP-DX).

UV1262_M11_1332-1242_90 Mix_meoh_Roasted 7411056.jdx.zip

For compression this will probably be related to this issue:

In order to have a more compact file.

Once this is done @josoriom and me will be able to import the example coffee dataset. Currently the files are 2.2Mb each but after this little changes I guess it will rather be 300 kb.