Running an analysis

Upload

Sign in at https://spectra.rombo.ai/login and add the 1H and 13C files you prepared. Prefer the vendor family or JCAMP-DX export listed in supported data.

Describe the objective

State the job in plain language: “verify this proposed impurity”, “dereplicate the major component”, “identify an unknown in DMSO-d6”. The product path is different in risk for verification versus open-world identification even when the interface looks similar.

Add context

Solvent, field, proposed structure (for verification), and any formula or MS you are allowed to share. Do not paste confidential scheme numbers into public tickets.

Review quality warnings

If the application warns about referencing, missing nucleus, or unusable windows, fix the data first. A warning you dismiss will still appear in the residual error.

Run the workflow

The public steps are: load, retrieve, validate against predicted shifts, review. Wait for the shortlist rather than re-submitting the same files.

Inspect the shortlist

Open the top candidates and the ones that were discarded for large residual error. You are looking for a story that a colleague could audit, not a single green badge.

Next: understanding results.