2D Metabolomics NMRPipe Processing

NMRPipe Processing to obtain .ft2 and .nv files

1. The data files from ICONNMR can be used directly by NMRPipe to process the 2D 1H–13C-HSQC spectra.

2. On a Linux workstation, open a terminal and go to the directory that contains the NMR data. Type bruker to start the NMRpipe software.

3. Read in the experimental parameters file by clicking Read Parameters and verify that all the parameters have been correctly updated. Confirm that the mode of data collection has been set to echo-antiecho if the NMR spectrum was collected with the hsqcetgpsisp2 pulse program.

4. Click Update Script to save an NMRPipe processing script fid.com file in the working directory.

5. Type ./fid.com to start the NMRPipe processing script.

6. When the NMRPipe processing has finished, type nmrDraw to view the processed NMR spectrum. Please see the NMRPipe and nmrDraw tutorials at [spin.niddk.nih.gov/NMRPipe/doc1/] for detailed instructions.