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WebApp to turn your NMR into publication-ready line lists. Fast, simple, easy.

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azmanam:
I made a web app to turn NMRs into line lists. It will identify the signal (q vs dd), calculate the appropriate coupling constant(s), and format your line list for you.

For instance, I made this line list from this NMR in under 7 minutes. How long does it take you by hand?




Enjoy :)

bit.ly/nmrformatter

ResStu:
Well done....

azmanam:
Thanks, friend.

BobfromNC:
What input does the app take?    Does it use a PDF of the NMR, the raw data from a Varian or Brucker, or some other files?

azmanam:
Sorry for the delay.

Right now, it takes manual input. You physically type in the ppm for each of the peaks within a signal, tell it the integration and coupling and it will format the output on your behalf.

One of the reasons for not taking raw data is that the formatter is only as good as the resolution of the spectrum and the sensitivity of the peak picker. How many times has your 'singlet' given two peaks by the peak picker due to a shoulder, real or imagined, or a blip in the side of the signal. Taking raw data could give false readings.

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