Spectra by ROMBO AI Try
Documentation Docs home Getting started Supported data Preparing data Running an analysis Understanding results Evidence and confidence Limitations Data handling Troubleshooting FAQ Glossary Account and billing Records and exports

Documentation

Spectra documentation

Practical documentation for using and evaluating Spectra, from a project upload through preprocessing, peak picking and identification.

Use these guides to prepare NMR data, work through an analysis, and review the evidence behind a candidate structure. Spectra ranks and explains; the chemist decides. A ranking is not confirmation of molecular identity.

Find the right guide

What you want to do Where to start
Try Spectra for the first time Getting started
Explore a result before uploading your own data Sample analysis
Check whether your dataset is suitable Supported data and preparing NMR data
Review each step of an active project Running an analysis
Evaluate a shortlist or an inconclusive result Understanding results and evidence and confidence
Resolve an upload, access or workflow problem Troubleshooting
Assess suitability before sharing laboratory data Data handling and limitations

Your first analysis

  1. Prepare one sample. Gather its spectra and record the nucleus, solvent and spectrometer frequency where known. Upload only data you are authorized to share.
  2. Review each step. Check Input, Preprocessing and Peak picking before authorizing the next stage. Processed spectra and imported peak lists can enter further along the workflow.
  3. Evaluate the evidence. Review the candidates and unexplained signals, not just the top rank. If no single structure is defensible, use the result to decide what additional evidence to collect.

Follow getting started for the walkthrough, then running an analysis for the review checklist.

All guides

  1. Getting started — project, upload, and the four steps
  2. Supported data — 1H, 13C, optional 2D, and formats
  3. Preparing NMR data — referencing, solvent, quality problems
  4. Running an analysis — confirm each gate
  5. Understanding results — ranking, accept, reject, empty result
  6. Evidence and confidence — ranking is a decision aid
  7. Limitations — read this before a regulated or publication decision
  8. Data handling — uploads and how we handle spectra
  9. Troubleshooting
  10. Account and billing

Further reference

  • FAQ — common questions about using Spectra
  • Glossary — terminology used in the guides
  • Review records and exports — what stays with a decision and what laboratories should confirm