Data Processing

The PC in Fulmer B3 runs Varian/Agilent’s latest software VnmrJ that is compatible with all the NMR software versions running on the spectrometers in the facility. Data from the spectrometers can be analyzed here and processed. The results can be saved to a USB drive and printed at a local printer in the WSU NMR lab.

 

FREEWARE Here are a few freeware NMR processing software that are popular.

• VnmrJ is now open source software as OpenVnmrJ. It requires working knowledge with UNIX.
• SpinWorks This is a software developed by Kirk Marat from University of Manitoba. SpinWorks is freely available for download and works on Windows based computers. The author comments that some people have successfully tried it with Wine to run on Linux platforms and with SoftWindows on Mac as well. 
• NMRPipe This is a nice software that is an outgrowth of dedicated effort by Frank Delaglio of NIH (part of his graduate work) and what more it is free ! Nevertheless, this runs only on a Unix or Unix-like operating system (including Linux) and probably more suited to do 2D and 3D NMR data than a routine 1D spectrum processing. It requires working knowledge with UNIX.
• matNMR 3 This software was developed by Jacco van Beek, and published in J. Magn. Res. It is a toolbox for processing 1D and 2D NMR spectra under MATLAB, and is free. It has been tested under Solaris and MS Windows 95. Additionally, it works on MacOS 7.5 and 8.0), and on Windows NT.
• iNMR is a software available on Mac or Windows you can download in demo mode for use of select features with no expiration. You can upgrade to a commercial product from Mestrlab for full use, and all future versions.
• Topspin is also freely available to academic users. Topspin is the software package for NMR data analysis and the acquisition and processing of NMR spectra provided with Bruker NMR spectrometers.

 

COMMERCIAL SOFTWARE At present no other third party software is available for distribution by the facility. But here are some links you can explore and buy the software if found suitable for your own use.

• ACDNMR A 1D and 2D processing version is available in this suite. Interface is user friendly and can read many NMR fid formats including Bruker’s.
• MNOVA from Mestrelab Research has more than one flavor of this software available for purchase and one can also download a trial version by registering. The WSU chemistry department currently owns a departmental license to this software. For users that are members of the WSU chemistry department, directions on installing this software can be seen here.
  
• NUTS This program can run both on Windows and Mac computers. If you need simple 1D processing, this is the most affordable software. A 2D version is available for a higher price.