Documentation
Documentation FAQ
Answers to practical Spectra questions.
What does Spectra do?
Spectra takes 1H and 13C NMR data, retrieves and ranks candidate structures, and shows the evidence for each: match value, residual error and per-shift agreement. It is a decision aid; the chemist makes the identification.
Which data can I upload?
1H and 13C spectra from Bruker, JEOL and Varian systems, or JCAMP-DX.
Does it replace Mnova, TopSpin or ACD/Labs?
No. Keep acquisition and processing where they are. Spectra is the ranking and evidence step after them.
Is it only for pure compounds?
No. Spectra supports verification of knowns, dereplication of mixtures, and identification of unknowns. Mixtures, impurities and overlapping signals remain harder cases and may require additional experiments.
Does it only work with proprietary libraries?
No. Spectra combines large-scale compound libraries with foundation-model ranking and physics-guided validation. Customer-private libraries can be discussed for an enterprise agreement.
Does it do verification or also unknown identification?
Both. Verification of a proposed identity is usually the lower-risk path. Identification of an unknown is possible but carries more residual uncertainty and more often needs a next experiment.
Does it only use NMR?
Spectra is an NMR compound-identification agent. Primary inputs are 1H and 13C data. Molecular formula, exact mass, MS or synthesis context may be supplied as additional context when available.
How do you avoid generative-model hallucinations?
Candidate generation is not treated as sufficient. Hypotheses are ranked against retrieved structures and then checked by comparing predicted and measured shifts. Candidates the data cannot support fall in rank or are discarded.
How is confidence in a result assessed?
Spectra surfaces a match value, 13C RMSD, and shift-level evidence. Confidence is conditional on the submitted data, the search space, and the quality of the spectrum. A high match is still a hypothesis until a chemist reviews it.
Is it suitable for regulated laboratories?
Spectra can support a documented review trail. Regulated use is scoped as an enterprise conversation, including method validation on your samples.
How long does it take to see value?
You can sign in and submit a spectrum. The fastest evaluations usually start with verification or dereplication on 1H and 13C datasets you already have. An enterprise agreement is scoped around a real case.
Who makes the final identification?
The chemist. Spectra produces a ranked shortlist and evidence. Final interpretation, reporting, and any quality or regulatory decision remain with the human expert.
Can I upload client or unpublished spectra?
Sign in before any upload. Agree data-processing terms before a client sample or an unpublished structure: hosting, retention, training use, deletion and subprocessors. Email contact@rombo.ai for a review without attaching spectra or confidential project details. See security and data handling.
How much does Spectra cost?
Free includes 3 analyses and shift-level evidence. Pro is €79 per month or €790 per year for one user, with 20 analyses per month, advanced LLM models, higher-accuracy algorithms and physics-guided ranking. Enterprise is custom: talk to sales. VAT is confirmed before a purchase order. See the pricing page.