The model is the part of an inline project that decides whether it works

Service

The model is the part of an inline project that decides whether it works

An instrument measures absorbance at hundreds of wavelengths. Converting that into concentration is a regression problem, and in a real process stream — overlapping bands, drifting baselines, scattering particles — it has to be multivariate. We build that model against your chemistry and integrate it into the software platform.

How it works

How a calibration is built

  1. 01

    Define the measurement

    Which analytes, over which concentration range, under which process conditions. This decides everything downstream.

  2. 02

    Design the calibration set

    Span the full range including the ends, and deliberately break the correlations that occur naturally — otherwise the model cannot tell two co-varying analytes apart when a batch behaves abnormally.

  3. 03

    Collect references

    Against the offline method you already trust, usually HPLC. The model can never be more accurate than its references.

  4. 04

    Build and cross-validate

    Preprocessing, then latent variables chosen on batch-blocked cross-validation. Random sample-wise validation reports an optimistic error and invites overfitting.

  5. 05

    Validate on held-out batches

    Prediction error on batches that were never part of model building is the number worth quoting.

  6. 06

    Deploy and monitor

    Spectral residuals are watched so the model warns you when it sees something it was not trained on — before the predictions visibly go wrong.

What you get

  • A calibration tailored to your chemistry, integrated into the instrument software as its built-in model.
  • Real-time reactant and product concentrations, without a manual calibration step.
  • Documentation of the preprocessing and the validation, so the model is transferable and auditable.
  • Revalidation as feedstock, temperature or product specification changes.
  • Where you want to own model building in-house, the route through KAX Group's VEKTOR DIREKTOR™ and ProaXesS, rather than a dead end.

Have an instrument but no usable model?

Model development is available on its own. Tell us the analytes, the range and the reference method you use today.