Data Processing

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 spectromters in the facility. Data from different spectrometers can be downloaded here and processed and the results can be exported via email from within Topspin.
  • FREEWARE 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 MS Wndows based machines. The author comments that some people have successfully tried it with Wine to run on Linux platforms also. I could successfully run SpinWorks from Windows hosted by a Linux machine via VMWare. (NOTE: SpinWorks is not thoroughly tested on Windows Vista). 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.
  • 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.
    • MestRec. There are 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 but is undoubtedly an expensive choice.

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