The Virtual NMR Spectrometer package provides the possibility to export simulated data in the format compatible with NMRPipe (Frank Delaglio, NIH).

This allows the user to take advantage of all tools available in the NMRPipe software package for further procesing and analysis of simulated data and for their comparison with the experimental data.

Exporting data to NMRPipe:

Click on the SAVE button on the bottom of the Main VSNMR Panel to open Save Data Window.

Select Export to NMRPipe as the desired data Save Type.

Then follow the steps described in the Save Data Window manual to navigate to and select the desired directory and output file name (by default, the output file extension is ".pip").

You can select the desired file name from the list of available files in the folder or use the edit/text box to type in the desired file name.

The simulated "raw" data (FID's) will be written in the data format compatible with NMRPipe. All relevant parameters (frequencies, data sizes, etc) will be automatically written into the header of the output file.

You should then be able to read this file into NMRPipe and process it.

If data saving finished successfully, the Save Data Window will disappear. If this did not happen, see Matlab shell for any error messages.