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A calibration comprises a collection of spectral data and a customizable set of parameters describing a particular analysis procedure.

Calibrations are used in quantitative and qualitative analysis either to detect an amount of a particular substance contained in a sample or to prove the identity of a substance or compound. Such investigations are based on a previous mathematical and statistical interpretation of a known set of substances or amounts. The results of these investigations are stored in a so called calibration.

Based on these pre-calculated results, reliable predictions for the identity or an amount of a substance in an unknown samples can be made.