NMR Sample Manager for TopSpin
Sample Manager records what's in the magnet alongside your experiment data. It
provides a GUI for viewing and searching sample history (launch with
samples) and drop-in replacements for TopSpin's injection and ejection
commands (ija, eja, sxa) that capture sample
metadata at the point of use.
Metadata is stored as JSON files in your data directories. Even without annotations, the timeline view gives you a bird's-eye view of what you've been running. With annotations, you get searchable records of sample composition, buffer conditions, and tube details — ready for writing up, data deposition, or handing over to the next person.
If you forget to annotate at the time, you can always create annotations retrospectively by selecting experiments from the timeline.
Sample files use a shared open JSON schema and are compatible with the web-based Sample Manager, NMRTools.jl, NOMAD, and NMR TITAN.