Core facilities
Give every NMR user a consistent first pass.
A shared workspace where users get ranked candidates and per-shift evidence before they book expert time.
Target user
NMR core facilities and shared laboratory services that support chemists who are not full-time spectroscopists.
Specific problem
Expert time is spent reconstructing a first pass that each user currently does differently — or does not do at all — before they book a consultation.
Existing workflow
Users process in the facility’s TopSpin, Delta or Mnova environment, then ask staff to look. Notes live in email and whiteboards.
Where time is lost
Repeating the same library-hit conversation. Close analogues that needed a 13C residual, not another slot on the magnet.
How Spectra helps
Each user gets a ranked shortlist and shift-level evidence before they book expert time. Staff review the same objects: match, 13C RMSD, unexplained signals.
Data typically required
1H and 13C exported the way the facility already trains users to export; solvent and field.
Output
A consistent first pass the facility can read the same way for every user.
Limitations
Spectra does not replace facility SOPs, spectrometer booking, or the spectroscopist. Crude mixtures and 1H-only metabolomics cases will still need expert triage.
Recommended validation
Run a compound the facility already knows. If Spectra ranks it correctly and shows why, the next unknown is a fair test.
A core facility is an Enterprise agreement: seats, who can open another user’s spectrum, and how the shortlist reaches the consultation note. Individual chemists start on Free or Pro.