MICHIGAN STATE UNIVERSITY
NMR Data Archiving
Department of Chemistry

(A PDF version of this page is available from the Handouts site)

MTR Resources
Your data is important to us and we will make every effort to ensure that it is maintained. Our NMR instruments aren't getting younger and unexpected data loss may occur. Additionally, from time to time we will need to free up disk space by removing some older files, which may include your data. We will warn everybody before this occurs, but it's best to be prepared.
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To save data on your PC desktop or laptop (Mac file transfer info here):

  1. For Chemistry users, we recommend using a WinSCP to transfer your data. It is available from http://download.cnet.com/WinSCP/3000-2160_4-10400769.html
  2. Double click on the winSCP Icon.
  3. Fill in the fields according to your desired account. Leave the Private key file field blank. Contact the facility about hostname:

  1. Click Login.
  2. Highlight desired directories/files and drag them to your Desktop or to a folder.

  1. For those of you with a single username, login to isis as described above and look for the aliases for the appropriate instrument. Double click on the desired link. For example, the 500 in B7 will be 'VXR-500-OLD-roomB7' as shown below. To connect to other instruments, use the back folder icon to return to the first screen.

To save data on your Mac desktop or laptop:

  1. We recommend using a SFTP client to transfer your data. Fetch 5.5 is a versatile SFTP client that allows easy data transfer for Macs. You can obtain a free Educational site license for the software (click here). Mac OS X version 10.3.9 or higher and 50 MB disk space is required.
  2. Once installed (see Facility Staff for directions), click on the Fetch icon, then enter the information as follows:

  1. Click Connect to access data. Highlight desired data and drag to Desktop or Desktop folder.
  2. To diconnect, simply close the program. For future connections, use the recent connections icon (a clock) to the right of the hostnames to quickly access accounts. Click Add to keychain to save the password.
  3. For those of you with a single username, login to bes as described above and look for the aliases for the appropriate instrument. Double click on the desired link. For example, the 500 in B7 will be 'VXR-500-OLD-roomB7' as shown below. To connect to other instruments, use the back button to return to the main account and double click the desired alias.

  1. Use your favorite CD burning program to archive this data. The Facility offers a PC for use in archiving data on CD or DVD using sftp software. The computer is located in our office (room 27) and is available M-F from 8:30 AM to 5:00 PM. Please bring your own CD or DVD.

View, Process, and Print NMR data from your PC or Mac:

  1. There is free processing software available for both PC's and Mac's. I have used both and they are quite good, but require some time in order to learn them.
  2. For PC's use MestRe-C, which is available through the department's ChemDraw site license.
  3. For Mac's use SwaN-MR (now iNMR and not free). Be sure to download all appropriate files.
  4. An alternative for both Mac and PC is to use your computer as a remote display for one of our datastations. If you desire to try this, your computer must be part of the msu domain. Please contact Dan at 355-9715 ext. 387 to determine if you can get remote access.

Workup Data on a Remote Workstation:

Max T. Rogers NMR Remote Data Processing
data processing area subbasement undergraduate data processing
Subbasement, room B-8, remote access area 2nd floor, room 204, undergraduate data processing area
 
We have 5 remote workstations to facilitate your analysis of data. One is located in room 538 adjacent to the spectrometer. Two are located in room 204 and two are located in the subbasement (picture above). All workstations are available for your use. They all have the VNMR software and workup is identical to what is done on the instrument (click here for a workup procedure).

 

  1. Login using the account for the instrument where you acquired the data. For example, if I acquired data on Anubis (VXR-500), I would login using dh5.
  2. Click on the VNMR icon.
  3. Click File. If it is not on the first screen, click on More Elements. Find the desired FID and click on it so that it is highlighted.
  4. Click Load.
  5. Type wft.
  6. Process as usual.
  7. If you want to print your spectra, you may have to change the plotter. Below is a table for the various plotters. Set the plotter to the designated plotter for the room you're in.
    1. Type plotter?. Write down the name of the plotter.
    2. Locate the name of the plotter for your room and enter according to the table.
    3. When completed, type plotter='original plotter name', where the original plotter name is from VII.1.
  8. IMPORTANT: Remember to set the plotter back to the original setting after plotting!
Plotter Settings for Remote Data Workup
Room
Plotter
Type the following...
538
scriber
plotter='scriber'
240
ugnmr
plotter='ugnmr'
27
canthor
plotter='canthor'
B-7
ps10r
plotter='ps10r'
B-8
ps10r
plotter='ps10r'


Last Updated:  April 27, 2015  - WebMaster
URL: http://www2.chemistry.msu.edu/facilities/nmr/dataarchiving.html

 

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