Processing of UW Chemistry NMR Data
The PC in room 37 Bagley Hall runs Bruker's latest software Topspin that is compatible with all the NMR software versions running on the spectrometers in the facility. Data from different spectrometers can be downloaded here and processed and the results can be exported via email from within Topspin.
Here are a few freeware NMR processing software that are popular. At least one of them is hosted here for download:
- SpinWorks This is a software developed by Kirk Marat from University of Manitoba. SpinWorks is freely available for download and works on Wndows 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. The NMR Facility could successfully run SpinWorks from Windows hosted by a Linux machine via VMWare. You can download the Zip archive of SpinWorks from the link above.
- 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.
- NEW ! Free Topspin 3.6 processing software - available for download here: Topspin 3.6 for Data Stations
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.
- 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.
- Topspin This is the proprietary software of Bruker-Biospin which makes it rather seamless to use for data collected in our facility. Though you have to pay for commercial use, Bruker offers a completely free academic version with full functionalities. Currently available version is Topspin 4.0.8.