Spectrometers

Facility Dashboard Navigation

• Managing Facilities Overview
  • Facility Information & Metadata
  • NMR Spectrometers (Add/Edit)
  • NMR Probes (Add/Edit)
  • Manage Instruments (Status & Probe Mapping)
  • Download NDTS Software
  • Manage Facility Users NDTS Settings

What Defines a Spectrometer in NAN?

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.