(A
PDF version of this page is available from the Handouts site)
MTR
Resources
Your
data is important to us and we will take 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.
Login on a workstation in room 204 (west wall) using
Common Desktop Environment (CDE).
Login using the user name and password for the instrument
where you acquired your data.
Insert your ZIP disk in the the ZIP drive. Wait for the
ZIP window to appear (about 30 sec).
Open the "Home folder" window. (Left click the "files" icon
in the bottom toolbar). All your datafiles will be shown on this window.
Copying files:
To copy one file (ABC.fid for example):
Use the left mouse button to drag the "filename.fid" file into the
ZIP
window.
To see the filename.fid filename on the ZIP window: Select VIEW, then UPDATE.
To copy multiple files: Keep the 'Control' button
pressed down while selecting and dragging files.
Ending:
When you are finished select FILES, then EJECT in the ZIP window. Please logout
properly.
To save data on
your PC desktop or laptop (Mac file transfer info here):
We recommend using a SFTP client to transfer your data.
A shareware version is available from Poohbah/Security:
Contact us or Chemistry Computing and Information
Technology (CCIT) Support for obtaining the file.
Two new icons will appear on your Desktop; SSH Secure Shell
Client and SSH Secure File Transfer Client.
Double click on the SSH Secure File Transfer Client Icon.
First time setup: click on Edit, Settings..., choose
Tunneling and activate Tunnel X11 Connections.
Click Quick Connect. Fill in the fields
according to your desired account. The hostname should be bes.cem.msu.edu
as shown below:
Click Connect and enter your password when
prompted. You can add this account as a Profile by using the add
Profile window that pops up upon successful login. Upon next login you
can choose
the Profiles for easier access.
Highlight desired directories/files and drag them to your
Desktop or to a folder.
When done click the disconnect icon (),
click OK, and exit the program.
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 folder icon to
return to the first screen.
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.
To save data on
your Mac desktop or laptop:
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.
Once installed (see Facility Staff for directions), click
on the Fetch icon, then enter the information as follows:
Click Connect to access data. Highlight desired data and
drag to Desktop or Desktop folder.
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.
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.
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:
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.
For PC's use MestRe-C,
which is available through the department's ChemDraw site license.
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
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).
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.
Click on the VNMR icon.
Click File. If it is not
on the first screen, click on MoreElements.
Find the desired FID and click on it so that it is highlighted.
Click Load.
Type wft.
Process as usual.
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.
Type plotter?. Write down the name of the plotter.
Locate the name of the plotter for your room and enter
according to the table.
When completed, type plotter='original plotter name',
where the original plotter name is from VII.1.
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:
August 28, 2009
- WebMaster
URL: http://www2.chemistry.msu.edu/facilities/nmr/dataarchiving.html
),
click OK, and exit the program.
