With the measurement of a single spectrum the sample can be evaluated in a three-step process:
The first step analyzes if the spectrum of an incoming raw material fits to the statistical population of authentic and previously accepted batches. This way it can be checked if the correct raw material was delivered and properly labeled to avoid usage of the wrong ingredient in production.
In this step the sample is further qualified using conformity test, which is a more specific evaluation of the spectrum. Checking for conformity with an individual threshold at each data point allows a real fingerprinting of the material with adjustable sensitivity.
Finally, during the quantification of the different constituents, an outlier test based on the Mahalanobis Distance is performed. Again the analysis spectrum is compared to the sample population in the individual quantification models.
Bruker Optics comprehensive spectroscopy software OPUS provides powerful tools for identification, qualification by conformity test and quantification of raw materials and finished products. The powerful MultiEvaluation package combines these individual evaluation tools to a single routine with hierarchical evaluation.
The software user interface links measurement and evaluation methods to a single raw material or product. The operator only needs to select the product to be analyzed and the correct measurement and evaluation methods are performed automatically.