NMR Facility Basic Training

The knowledge of the standard operating procedures (SOP) outlined below and certification thereof, are required for permission to operate spectrometers in the UT NMR facility.  

5th floor SOP (12 steps plus)

Standard Operating Procedure
  1. Login
    1. Select PI at login menu, (passwords are the same for all systems)
      1. If unix login screen is displayed, then login as "walkup" passwd "welcome2021"
      2. If VnmrJ (henceforth OVJ) is not running start it from the desktop icon.
      3. If OVJ does not show its login screen, then logout last user.
  2. >>Eject to float the sample
    1. Clean your sample tube
    2. insert in spin collar and set proper depth (40-50mm solvent height)
    3. Place sample tube and spin collar in the top tube of the magnet
  3. >>Insert to load the sample.
  4. >>Start >>Sample Info  >>Select solvent
    1. Optional read default shims (click "Start" tab >> "shims" subtab >> "read default shims" button
  5. >>"Start study" or "Continue study" 
  6. Enter sample information (unnecessary if continuing study)
    1. Sample_Owner (initials or last name --all will be changed to uppercase)
    2. Sample_Name (notebook-page# or descriptive)
  7. Select experiment(s)
    1. Modify if desired
      1. Double click on the experiment name (yellow)
      2. Edit acquisition parameters
      3. "Save" to put the changes into the study queue
  8. >>Submit
  9. After completion check the spectral data
    1. double click on last green completed experiment
    2.  Repeat steps 4-8 as required.  Use continue study on the same sample.  (Right-click on the completed experiment and select "clone" to repeat the experiment).
  10. >>Start tab >> Lock subtab >> uncheck Lock flag
  11. >>Eject  Retreive your sample; if you have no more samples click Insert with no sample.       
  12. >>Logout.

Not a step just a reminder --analysis and printing are to be performed remotely using Mnova.

NMR Facility SOP more detailed explanations

MR400 login OVJ (a first look)

The MR400's in the 5th floor lab are controlled using OpenVnmrJ (OVJ) software.

screen shot

Its login screen overlays the main dashboard of the operating dashboard.  Your research group should be listed in alphabetical order in a popout menu.  All instruments use the same set of passwords for each group.  Upon successful login, the overlay will disappear, revealing the dashboard below.

OVJ Dashboard (a familiarization)

The OVJ dashboard has divided into sub-sections for controlling the sample, entering sample information, adding and customizing experiments.  

screen shot
  1. Acquisition control panel
    1. defaults to "Sample Information"
    2. experiment customization panels are under the "Aquire" tab
  2. Submit button
  3. Daily list of previous data successfully acquired   
  4. Experiment selection panel
  5. Main menu with access to more features/controls

The large black rectangle is the live data screen.  It will display FID, spectrum and Lock signal.  The command line above it will execute text commands (ds - display spectrum, df - display FID, aph - autophase,)  The blue-ish vertical icon bar on the right controls what the cursor will do when its inside the data screen.

Operator Training Video (must watch)

Please watch the video.

 

 

UTBox-NMRData (Where's my data)

Where's my Data?

 UT-IT Services provides access to cloud storage in Box.Com  

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The NMR lab has an account on UTBox and uses this resource as Network storage for its data.   The archive is secure, password protected and guarded against accidental deletion by giving NMR users view and download access only.  
 
NMR data files are all collected and stored locally on the instrument of origin.  At the end of each experiment a second copy saved to another folder (also local).  Periodically, (currently every 10 minutes) this folder is scanned and any files found are moved to the appropriate path on UTBox-NMRData.   
 
screen shot

Notes: 

  • Certified NMR users are given download permission upon completing their basic training checkout.
  • FID files are organized under NMRData by Instrument_name/Group/{member-name/}Sample-name.
  • If you cannot download data files, contact staff:  Scott K Smith or Garret Blake
  • If you cannot find a data set contact staff with the full path you were expecting.  Note: All files are first saved locally and then copied/moved to UT-Box.

  • NMRData download permission is granted when requesting the Basic Training Checkout

    NMR Data : click to access sharing link to UT-Box NMR lab account.

MNova installation (offline processing)

1) Download and install the latest version of MNova software.

             Here:  http://mestrelab.com/software/mnova/download

2) Setup MestreLab licenses

MNova requires three registered licenses from MestreNova that are accessed from a network drive on the UT intranet.  You must create a formal path to this network location of the files and then point MNova to them.   Do not save the license files to your computer!

If you are not on campus, you will need to first connect through the university's VPN service. Information on installing the VPN software and instructions on how to connect can be found at the following link here:  UT-VPN Help

Create the network connection:

On Windows: Map a network drive -> 

open a file browser -> Right-click Network -> select Map network drive

Type in: \\cm-srv-fs.austin.utexas.edu\nmr

Use your UT login credentials: (eid or \Austin\eid)

 

On MacOS:  Connect to server ->

Type in: smb://cm-srv-fs.austin.utexas.edu/nmr

Use your UT login credentials: (eid or \Austin\eid)

 

Install the licenses:

Run MestreNova and open its license manager. 

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Open its “registration server” (the shopping cart).

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Point to the newly mapped network drive and install each of the three licenses. 

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Make sure to close and re-open MNova before attempting to use it.

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Final state with all licenses Green!

Please contact staff, if you need help installing MNova.

Reservating NMR time (NMRCalendar)

go to the NMR calendar graphic

Final Checkout (If you're ready, certification!)

Do: After familiarizing yourself with the information above, you will be expected to demonstrate the SOP's and acquire the proton spectrum of a sample.   Final checkout is not completed until you download, process and print the sample's spectrum offline.  

When you have completed these steps, click on the link below. 

Basic Training (This form and others requires an active UT-O365 account to access) Certification Request