Hi all, I am very new to nmrPipe. I want to achieve the following steps. It would be very kind if somebody helps.
I have a 2D bruker data (t2= 4k points, t1= 32 points) and I want to do Fourier transform in the F2 dimension,phase etc. (2) and then extract the 32 spectra as 1Ds and also convert these 32 spectra in ascii format. (3) fit the peaks with a gaussian or Lorentzian function. (4) integrate the peak and save the integrals and time points as an ascii file.
I only managed till the 1st step. Please help..!!
An example of this kind of 1D series analysis using NMRPipe is included in the demo data archive "dosy.tar.Z" posted at the bottom of the NMRPipe download site:
The example includes scripts which extract and save 1D slices from a 2D as a series, scripts which fit the evolution of 1D peaks over the series, and scripts which display the fitted model along with the original data.
answered Oct 13 '10 at 11:44
nmrPipe itself does not fit or integrate the peaks, but there are separate programs and
nlinLS - program that does data fitting, usually called from
So in the end to automate all of that you'll have to create a script that calls
One way to extract a 1D vector from nmrPipe is to use
COADD will add up the data vectors using the coefficients given with the
Maybe there is a way to achieve the same result with
hi i am sashi,new to this software, previously i was using topspin 2.1 to process 2-D data ,when we try to process same data in nmrpipe and topspin (keeping same phase valves) unfortunately we didnt get same spectra in these two softwares (topspin showing more peaks than nmrpipe).Though we followed each and every command in manual(we used basic 2D in nmrpipe).Can anybody help in this regards thankyou in advance.
answered Oct 28 '10 at 06:24