An interactive 1D NMR spectra processing tool dedicated to metabolomics The NMRProcFlow open source software provides a complete set of tools for processing and visualization of 1D NMR data, the whole within an interactive interface based on a spectra visualization. Nmrglue is a module for working with NMR data in Python. When used with the NumPy, SciPy, and matplotlib packages nmrglue provides a robust environment for rapidly developing new methods for processing, analyzing, and visualizing NMR data. Nmrglue also provides a framework for connecting existing NMR software packages. 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.
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.
Freeware
Here are a few freeware NMR processing software that are popular. At least one of them is hosted here for download:
- SpinWorksThis 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.
- NMRPipeThis 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 3This 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.
- iNMRis 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
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.
- NUTSThis 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.
About
Acd 1d Nmr Processor
ACD/NMR Processor software allows users to process 1 & 2D data on their Windows PC. Package includes full version of ACD ChemSketch. For more information and requirements see the ACD Labs website:
Quick Start Guides
Setup and Installation
Cut and paste the link (including the beginning two ) into your Run command found under the Start Menu (if you're using Win10, then copy the link, press the Window key and then ctrl+v) and press enter.
130.101.9.4mrc_dataACD
Acd 1d Nmr Processor Download
- Username: chemistryuanet_id
- Password: MRC_account_password
This should now bring up a file explorer window
Double click on setup.exe to initiate installation.
1d Nmr Processor Vs
You will be prompted to enter license server name or IP address on step 3 of the install (after accepting the license agreement). Enter 130.101.9.4, leave the rest of the default values and complete the installation.
Acd Labs 1d Nmr Processor Download
You will need to be connected to UAkron to use this version of ACD. To use from home you will need to VPN into campus.
Opening Network Files
1d Nmr Processor Software
FID data files saved to the network drive will not open directly with ACD because of the way the software checks file permissions. You will need to copy the .fid folder to your local machine and open the copy.