28th June 2018
The NMR Web Page
http://nmr.che.auckland.ac.nz
The NMR Booking Page
https://nmr.che.auckland.ac.nz/login.html
The Paths to The NMR data stores
There is a data store attached to each NMR machine.
They are named after the model number of the instrument that they serve.
Each user’s data is stored under their UPI in the relevant data store.
The Users can see each user’s UPI but can only see the data under the upi of
the person Logged in (hopefully they do not use each other’s login)
To map drives the user must attach using UOAUPI credentials.
The administrator of these servers is Michael Schmitz.
User Manual TopSpin 3.0 Version 3.0.0 think forward Bruker BioSpin NMR Spectroscopy. Non Uniform Sampling (NUS) is a fully integrated acquisition and processing feature since TopSpin 3.0. It allows routine use and is available for to all kinds of NMR experiments. An automatically generated and optimized NUS sparse list defines the sampling pattern leading to the fractional data acquisition.
The shares are
nmr.che.auckland.ac.nz300
nmr.che.auckland.ac.nz400
nmr.che.auckland.ac.nz400plus
nmr.che.auckland.ac.nz400drx
nmr.che.auckland.ac.nz600
The 300, 400 and 400 plus are the main ones used by Chemistry.
The NMR shares should be available from the University Ethernet network, it can also be accessed from the wireless network or off site via the VPN. Users need to authenticate using UOAusername and their University password.
Mac users should be able to map the share with either smb://nmr.che.auckland.ac.nz/ or cifs://nmr.che.auckland.ac.nz with their UOAusername and University password.
Note nmr.che.auckland.ac.nz = nmr.uoa.auckland.ac.nz
TopSpin 3.5 for Windows
This is the software used to analyse the data from the NMR machines. This version is available for download free of charge for academia. It is quite similar to version 3.1 in how it operates. One of the advantages of using this one might be that it comes with its own temp licence so one user won’t be affected by another. The latest version (3.5.7) has also been made available in ‘Software Center’ recently. It is also available in sit-build in case it needs to be dealt with manually.
https://www.bruker.com/service/support-upgrades/software-downloads/nmr/free-topspin-processing/free-topspin-download.html
Topspin 3.1 For Windows
This is the software used to analyse the data from the NMR machines.
It is installed on each user’s machine and they access the relevant drive
to get their data.
Topspin is also available within the NMR suite itself.
This version is available at
scidrive.uoa.auckland.ac.nzSIT$softwareTopspin31
There is a Linux version available as well, but we do not have the media.
See Michael Schmitz for this and the installation procedure.
NOTE:
We have 20 concurrent network licenses for this software, they are often all in use, so
you can get a ‘license exceeded’ message when starting up.
If you get a License server not found it usually means you have not copied the
license.dat file to the correct place or you are not connected to the network.
Installation of Topspin 3.1 on Windows 7 and 10:
Two files need to be run as Administrator firstly Install.cmd.
And secondly CopyLicence.cmd copies the licence files to flexlm directory).
Accept all the defaults when installing.
When completed create a shortcut to nmr.che.auckland.ac.nz on the USERS desktop.
If the student has access to the NMR servers they will be able to select their files.
Michael Schmitz (m.schmitz@auckland.ac.nz) administers these servers and controls the groups that give access.
He needs to be contacted for access because there is a need for NMR training before access is granted.
NOTE:
How To Use Topspin Nmr Software Download
- Although the MacIntosh install files are included, our license does not include the MacIntosh version
- There are only 20 licences available through the FlexLM Server if you get the error message in the command window: Number of ‘TOPSPIN3’ licenses exhausted.
You are trying to run too many copies of this program. It means that All 20 licences are in use and the user will have to wait until someone exits the program.
Topspin Nmr Download
How to handle your NMR data in TopSpin
Instructions on how to access your data are on OneDrive.
Note that to manipulate your data in TopSpin, you MUST copy your NMR data from LUNA into somewhere where you have write permissions - usually on your own computer. For convenience, you can then add this folder to the file browser pane on the left (right click and select 'Add New Data Dir...').
If you have a lot of processed 2D data, you will find that your personal filestore (aka 'H drive') will fill up pretty quickly. You can either request more space from ISS (the best way as ISS backs it up for you) or store it locally but this will not be backed up automatically! If you have admin rights on your Windows PC this can be anywhere at all, but if you don't, C:UsersPublic Documents does not need permanent admin rights. Only do this if you have a robust backup strategy in place!
Topspin Nmr Administration Password
How To Use Topspin Nmr Software Developer
Ideally, one could use selective sync and store your NMR data on a cloud service, and not store it locally. However, as of September 2017, this feature is (still) not yet implemented in Box, and DropBox is not recommended by Lancaster University.