NMR spectrometers are composed of many components: magnets, consoles, workstations, probes, cryogenic systems, variable temperature control units, sample changers, pneumatic routers, and more.
In the context of NAN, an instrument (or spectrometer) is defined as a combination of a magnet and a console. If either component changes, the best practice is to create a new instrument and decommission the old one. This ensures that harvested datasets are associated with the correct magnet and console metadata.
Adding a New Instrument
Use the Add Spectrometer button. No other action is needed.
Changing the Console on an Existing Instrument
Edit the current spectrometer and set the Spectrometer Status to Decommissioned.
Use the Add Spectrometer button to create a new instrument.
Consider renaming the decommissioned instrument if the new one will reuse the same name.
Note: the instrument Name is cosmetic and can be changed at any time. Changes take effect immediately on the portal. Spectrometers are tracked by their Spectrometer UUID, so renaming has no technical impact.
Replacing the Magnet While Keeping the Existing Console
Follow the same steps as for Changing the Console.
Swapping Consoles Between Two Magnets
Edit both current spectrometers and set their Spectrometer Status to Decommissioned.
Use the Add Spectrometer button to create two new instruments.
Consider renaming the decommissioned instruments to avoid 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.
