I have some Bruker NMR spectra that i am using to create a program as part of a project. My program needs to work on the actual spectrum. So i converted the 1r files of the Bruker NMR spectra to ASCII. For Carnitine this is what the ascii file looks like(this is not the complete list. The complete list runs into thousands of lines. This is only a snapshot):
-0.807434 -23644 -0.807067 -22980 -0.806701 -22967 -0.806334 -24513 -0.805967 -27609 -0.805601 -31145 -0.805234 -33951 -0.804867 -35553 -0.804501 -35880 -0.804134 -35240 -0.803767 -34626 -0.8034 -34613 -0.803034 -34312 -0.802667 -32411 -0.8023 -28925 -0.801934 -25177 -0.801567 -22132 -0.8012 -19395
and this is what the spectrum is:
My program has to identify the peaks from this data. So i need to know how to interpret these numbers. And how exactly they are converted into their appropriate values in the spectrum. So far this is what i have learnt:
1.) The first column represents the spectral point position (ppm)
2.) The second column represents the intensity of each peak.
3.) notice that in the second column there are some numbers which are not perfectly aligned but are closer to the first column. Eg:-34613, -28925, -19395. I think this is significant.
For the sake of completeness- I am doing the programming in R.
EDIT: please see this post in stackoveflow. It is one solution that i found. I would appreciate any others.