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Chemometrics can be used to accomplish a variety of goals in the quality control laboratory or on the process line
Complex applications benefit from the increased prediction accuracy and sensitivity to outliers (e.g., unusual samples, process upsets) associated with a multivariate approach. Generating a decision tree around a classification model (predicting a sample category), a regression model (predicting a continuous property or concentration), or any combination of both model types allows predefined rules to be applied to complex problems. When coupled to a given instrument system, the result is a turn-key custom analyzer.
LineUp™ 3.5 is an alignment utility for chromatographic and spectroscopic data. LineUp will process files in several data formats, including Agilent ChemStation chromatography systems (*.CH files) and many other instrument systems (PerkinElmer TotalChrom, ThermoFisher Atlas, Waters Empower, Dionex Chromeleon, etc.) through the AIA data interchange format for chromatography (*.CDF files).
The software balances the necessary algorithmic requirements with a simple user interface and is used for:
- Data mining, visualization and organization;
- Classification analysis to identify the origin of a sample;
- Quantitative analysis to estimate a concentration or other property that is hard to measure more directly
- Unmixing signals to identify and apportion the component parts of a mixture