The new Composition-ID function is a tool for identifying unknown mixtures and pure substances based on their IR or Raman spectra. The multi-step algorithm uses artificial intelligence and machine learning.
It requires no input for the expected number of components, provides a multitude of results in one run and automatically selects the one that fits best. For the recommended and possible alternative results, a composite from the weighted component spectra and its difference to the sample spectrum is calculated.
Key features:
- Best match recommendation for optimal balance of reliability and sensitivity
- Extensive hit quality diagnostics: - graph of hit quality and unexplained peaks plotted against component number
- High performance – comprehensive multi-component analysis in seconds
