Software · Coming soon

Metabolomics results you can stand behind

Quira Metabolomics is desktop software that turns NMR spectra into quality-checked, traceable compound results, automatically. It runs in your lab, on your own computer.

Quira Metabolomics preview: a batch of NMR spectra with QC results (fourteen pass, one warning, one fail), identified compounds, a spectrum view, and method development advice. — Preview build, in beta testing. Every spectrum is checked against its method, and anything flagged comes with the reason. Screens and features may change before release.

Why labs choose it

Built to be trusted

Catch problems early. Every spectrum is checked against the method it should follow, with a plain-English reason for each flag.
Know what's real. Detection limits for every sample, and confirmed compounds kept apart from leads worth a closer look.
Traceable by default. Every result carries the method, reference data and instrument that produced it. Audit-ready from day one.
Better methods, faster. Trial runs show what each change did. Lock the method in when it's right, and it can't quietly drift.
Your data stays yours. It runs on your own computer and nothing is uploaded. Use your own reference standards, with no costly library licence.
Share results freely. Clients and collaborators open results in a free viewer, with no licence needed.

Method development

Get the method right before the batch

Trial runs are measured against the method you are building. Quira lists what needs fixing, ordered by what it costs to ignore, starting with sample preparation, because no acquisition setting can rescue a bad tube. Lock the method in when it's right.

Quira method development screen: problems found across trial runs, ranked by what they cost to ignore, from a sample-preparation blocker to noise floor, shimming and water suppression.

Evidence

See why every compound was called

Open any compound to see its expected peaks against the spectrum: where each one was found, how far it shifted and how strong it is. Nothing is reported without the evidence behind it.

Quira evidence view for sucrose: the spectrum with its four expected peaks marked, and a table of expected and observed positions, shift and signal-to-noise for each.

How it works

Spectrometer to report, in four steps

01Load your dataPoint Quira at a folder of Bruker data, straight off the spectrometer.
02Automatic QCEvery spectrum is checked against its method before anything is reported.
03Identify and measureCompounds are matched, graded by confidence and quantified where the signal allows.
04Share the reportResults go out with the evidence behind every number and the exact method that produced them.

Built for

Labs that report to clients

University NMR and metabolomics facilities, contract research labs, and food, agriculture and natural-products labs. It works alongside TopSpin and the tools you already use.

Rather have us run the analysis for you? That is what our services are for.

Early access

See it on your own data

Quira Metabolomics is in beta testing. Features shown may change before release.