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metbit for ¹H NMR metabolomics

From raw spectra
to biomarkers.

Desktop software that takes raw FIDs or spectral tables through processing, multivariate models and statistics, on your own computer.

Compare plansSee the pipeline
  1. Point at or tap a peak: that shift lights up in all 28 samples.
  2. Scroll: each spectrum winds into its own PCA score.
  3. Same data, now 28 points: PC1 explains 36.9% of the variance.

Group AGroup BSeeded synthetic spectra, not patient data

One pipeline, from FID to findings.

The steps run in this order in the app. Each one shows its result before you move on, and changing an earlier step marks the later ones to run again.

  1. 01

    Import

    Point it at a folder of raw FID experiments, searched one or two levels down, or at a CSV table of spectra.

    • Import
  2. 02

    Process

    Zero-filling, stored or automatic phasing, baseline correction, and calibration to TSP/DSS, acetate, glucose, alanine or formate.

    • Process
    • Regions
  3. 03

    Prepare

    Cut water and other unwanted regions, normalise with PQN, MSC or SNV, and align peaks to a median or mean reference.

    • Normalize
    • Align
    • QC driftPro
  4. 04

    Model

    Unsupervised and supervised views of the same samples, with scores, loadings and S-plots you can select on.

    • PCA
    • OPLS-DA
    • PLS-DA
    • PLS-R
    • LDAPro
    • ICAPro
    • HCAPro
    • STOCSYPro
    • OutliersPro
  5. 05

    Test

    Which signals differ between groups, and by how much, with false-discovery-rate control.

    • VolcanoPro
    • Group testsPro
    • Two-group testsPro
    • Linear modelPro
    • CorrelationPro
    • Biomarker panelPro
  6. 06

    Annotate

    Label peaks on the spectra, grouped by sample, and export the intensity table of the labelled peaks.

    • Annotate
  7. 07

    Follow over time

    For repeated sampling: trajectories, time profiles, ASCA and mixed models.

    • TrajectoryPro
    • Time profilePro
    • ASCAPro
    • Mixed modelPro

Work you can come back to.

Projects
Save an analysis as one project file. It saves itself as you work and reopens exactly where you left it.
Time machine
Each successful run saves a snapshot of the whole session. Roll back to any of them, or keep one by name.
Notes and selections
Label points and peaks on any plot, lasso or box-select samples, and see the selected spectra underneath.
Figures
Set fonts, colours and sizes once for every plot, and export images ready for a manuscript.

Two plans. Upgrade with the same key.

Both are available as a perpetual or a yearly license. Moving to Pro keeps your key, projects and settings.

Standard

1 computer

The core pipeline: from raw spectra to multivariate models and annotated peaks.

  • Import, Process and Regions
  • Normalize and Align
  • PCA, OPLS-DA, PLS-DA and PLS-R
  • Annotate
Request Standard

Pro

2 computers

Everything in Standard, plus the full statistics, time series and reporting.

  • QC drift, STOCSY and Outliers
  • LDA, ICA and HCA
  • Volcano, group and two-group tests, linear models, correlation
  • Biomarker panel
  • Time series: trajectory, time profile, ASCA, mixed model
  • Methods report as PDF, with every figure as PNG and SVG
Request Pro

A license moves between computers: deactivate it on the old one, then enter the key on the new one.

Your spectra stay on your computer.

metbit does all processing and modelling locally. The only thing it sends is the license check: a one-way hash of the computer’s hardware ID, never your spectra, metadata or results.

After a check it keeps working offline for up to 7 days. For macOS and Windows.