NMR spectrometers are composed on many components; magnets, consoles, workstations, probes, cryogenic systems, variable temperature control units, sample changers, pneumatics routers, and more.
In the context of NAN, an instrument / spectrometer is defined as a combination of the magnet and console. If either change, the best practice is to create a new instrument and decommission the previous instrument. This will ensure that the correct console and magnet metadata is attached with harvested datasets.
Adding a new instrument
Add a new instrument with the Add Spectrometer button. No other action needed.
Changing a console on an existing instrument
Edit the current spectrometer and change the Spectrometer Status to Decommissioned
Add a new instrument with the Add Spectrometer button.
Consider changing the name of the decommissioned instrument if the new instrument will retain the same name. Note that the Name of the insturment is cosmetic and can be changed at any time and the change will be reflected on the portal immediately. Spectrometers are tracked using the Spectrometer UUID so the Name may0 be changed at any time.
Replacing a magnet while keeping the existing console
Follow the directions for Changing a console
Swapping consoles between two magnets
Edit both current spectrometers and change their Spectrometer Status to Decommissioned
Add two new instruments with the Add Spectrometer button.
Consider changing the names of the decommissioned instruments to avoid naming confusion.
Adding and Editing Spectrometers
Facility staff can add or edit spectrometers through the Facility Dashboard. Each spectrometer entry is divided into several sections: Basic Information, Magnet Information, Console Information, Workstation Information, NMR Software, and Add-On Software Features. A Save Changes button saves the edited information and a Discard Changes button allows exiting without saving.
Modal for adding and editing spectrometer information
Basic Information
Field
Description
Required
Name
The display name for the spectrometer, shown with all datasets. Make it descriptive but concise.
Yes
Year Commissioned
The year the system was originally installed.
Yes
Spectrometer Status
Choose from: Operational, Under Repair, Decommissioned.
Yes
Rates URL
Optional link to a webpage showing instrument usage rates.
No
Magnet Information
Field
Description
Required
Vendor
Magnet vendor name (e.g., Bruker, Oxford).
Yes
Vendor ID
Leave blank if unknown. Automatically detected after first experiment is harvested.
To locate:
TopSpin: Look in `uxnmr.info` for `Bruker Order:`
VNMRj: Look in `global` for `acqaddr`.
No
Field Strength
Magnetic field strength in MHz
Yes
Bore Diameter
Bore size of the magnet in mm.
Yes
Sample Changer
Select sample changer model or None.
No
Sample Changer Temperature Setting
Set whether the sample changer is Cooled, Heated, or Room Temperature
No
Pumped Magnet
Checkbox to indicate whether the magnet is pumped.
No
Console Information
Field
Description
Required
Vendor
Console manufacturer.
Yes
Model
Console model.
Yes
Serial Number
Console serial number.
No
Year Configured
Year the console was installed.
Yes
Total Channel Count
Total number of RF channels.
Yes
Total Receiver Count
Total number of receivers.
Yes
Workstation Information
Field
Description
Required
Operating System
OS name
Yes
OS Version
Version of the operating system.
Yes
NMR Software
Field
Description
Required
Software
Select from: TopSpin, Jeol, VNMRJ, OpenVnmrJ.
Yes
Version
Version of the selected software.
Yes
Add-On Software Features (TopSpin Only)
If TopSpin is selected as the NMR software, users may select from available add-on features. These are checkboxes that can be toggled depending on the installed modules.
