There are different options for offline processing and plotting/exporting NMR data outside the spectrometer. This is not meant to be a detailed reference manual, but just an outline.
- Processing workstations in B-10
- Install Topspin on your office/home computer
- Use Web based spectrum viewer
- Virtual desktops
1) Processing Workstations in B-10
There are two workstations along the wall in B-10, that have been moved apart for social distancing. The larger monitor is attached to the higher memory computer and is the preferred one to be used. Login is the same username/password as the spectrometer. If your username is not listed, select “Other” from the bottom of the list and manually enter it. Topspin can be started from the Favorites section of the bottom left start menu.
Data can be accessed from the NMR data browser, using /nmr500 for data on the Avance-500, and /nmr300 for data from the DPX-300 spectrometer.
2) Install Topspin on your office/home computer
Topspin is available with a free Academic license and can be installed on Windows, Linux and Mac computers. Links for downloading Topspin can be found on the NMR lab website at
https://sites.uwm.edu/nmr/nmr-lab-software/
Downloading and obtaining a license for Topspin from the Bruker website requires setting up a free account with Bruker using your UWM e-mail. You can also download Topspin from the NMR lab website. For on campus computers, you can also choose to obtain the license through the NMR lab license server (five simultaneous licenses). A quick installation guide that is available from above link.
To process data on your computer, you can either download them through the NMR lab website, or access them through the NMR lab uFiles file share (\\ufiles.ad.uwm.edu\uwm\LS\ResearchGroups\NMR\data)
You need to be logged into the UWM VPN with Global Protect to access uFiles from an off campus computer.
3) Use Web based spectrum viewer
The App available on the NMR lab Website can be used for searching of spectra and basic processing and printing of 1D data. Select [Search/View] on the NMR lab main status page or follow direct link.
https://hal.chem.uwm.edu/cgi-bin/webplot/webplot.pl
The app supports horizontal and vertical zooming, toggeling Hz/ppm and integral labels/trails, adding/deleting integrals, and limited peak picking and reprocessing of 1D spectra
Handling of 2D datasets is limited,in particular the incorporation of 1D projections, because of changes in Topspin that have not been fully been incorporated into the app. Printing creates a pdf file that can be saved or printed locally.
4) Virtual desktops
Those that need full processing capabilities, but don’t want or can install Topspin on their computer, can access a virtual desktop on the NMR lab server using the VNC protocol. These virtual desktops give the same access to Topspin and your data like the workstations in B-10.
Webstart files for different resolutions are available at the bottom of the NMR lab status page. Java is required on the users computer. Off campus users also need to be logged into the UWM VPN for access. The program will ask username and password, which are your Panther ID and -password. It will then connect to the NMR lab server and give you a login screen . Like with the workstations in B-10, you either select your name from the list or select “other” and enter it manually. That will give you a desktop identical to the one when using the external workstations in B-10. Depending how close the virtual desktop size matches your screen resolution, you may need to used the scroll bars at the right and bottom of the window to move to parts of the virtual desktop.
Printing can be done by exporting as pdf and saving unter the PDF directory, or using the Cup-Pdf printer. If you checked the “Monitor PDF directory” option on the website, a window prompting you to download the pdf file will pop up. Otherwise, you can download the PDF files with the Download App on the NMR lab website.
If there is trouble starting the webstart file from the website (for example some Macbooks seem to block it) you can access the files from the NMR lab uFiles file share, i.e.
U:\ResearchGroups\NMR\Programs\JavaVNC
5) Other Software
Other third party software is available that can be used for processing of Bruker NMR data, for example MNova.