Applications

The following documents illustrate applications for which Infometrix products have been designed. Although not exhaustive, these notes provide examples in the field where the technology has found use. The applications span most sources of multivariate data with emphasis on the traditional applications in optical spectroscopy, chromatography and discrete measurement sources. A section at the end relates applications for Infometrix instrument company partners.

These application notes are in portable document format, viewable with Adobe’s Acrobat Reader.

Application Note Type Data Source Algorithm
Octane Number AN NIR PLS
Bacterial ID AN HPLC KNN
Chemometrics in Chromatography AO GC,LC Classify,Regress
Food and Beverage Overview AO NIR Classify,Regress
Environmental Science Overview AO GC Classify,Regress
Plant Optimization AO Phys PCA,HCA,PLS
Factor-Based Regression TN PLS,PCR
Pirouette Algorithms TN
E-Nose Approaches AN MS PCA
HSMS E-Nose Applications AN MS
Chemometric Analysis of Soft Drinks AN MS PCA
Chemometric Analysis of Chocolate AN MS
Oil Mixtures in Margarine AN GC ALS
Analysis of Petroleum Mixtures AN GC ALS
Automated Interpretation of Chromatograms PN GC Align
Curve Resolution of Naphthalenes AN GC MCR
Cancer Screening AN NMR KNN
Trans-Fat in Food AN GC ALS
Align Chromatographic Profiles PN GC Align
Mixture Analysis for Metabonomics AN NMR ALS
Automated Alignment AB GC Align
Monitoring Hydrocarbons AB GC PCA
Steady State Processing AB Physical PCA
Apportioning Oils AB GC ALS
Aligning Crude Oils AB GC Align
Chemometrics for Metabonomics AN MS PCA
Aligning Process HPLC AN HPLC Align
Aligning NMR AO  NMR Align
Kinetics Study with Raman Spectra AN Raman ALS
Spectroscopy Best Practices TN
Quality Assessments for an Organically-Complex Drug – Part 1 AO PCA
Partners Data Algorithm
Bio-Rad’s Informatics Division specializes in state-of-the-art software and database solutions for the pharmaceutical, biotech, and chemical industries. Their KnowItAll Informatics System offers a fully integrated environment with complete software and database solutions for chemical, analytical, and biological information.
Metabonomics Mixtures NMR PCA
Reaction Monitoring with Raman Raman PCA
Mycobacteria Discrimination with PCA LC PCA
Characterizing Refinery Products GC PCA
Biomarker Identification NMR PCA
Gerstel GmbH sells the ChemSensor, which combines an Agilent mass spectrometer (MSD) with Pirouette and InStep to yield a rapid screening tool for the petroleum, food, environmental and pharmaceutical industries. Most of the applications are focused on headspace analysis (HSMS), but other technologies such as SPME are supported.
Soft Drinks HSMS PCA,HCA
Wine Discrimination HSMS PCA
Food and Flavors HSMS HCA, SIMCA, PLS
Beverage Analysis HSMS PCA, SIMCA, PLS
Analysis of Food and Beverages HSMS PCA,SIMCA
Rapid Screening HSMS SIMCA
Whiskey Adulteration HSMS PCA,SIMCA,PCR
Spoilage Detection HSMS PCA,HCA,SIMCA
Beer Aging HSMS PCA
AC Analytical Controls bundles the chromatographic alignment tool LineUp with their detailed hydrocarbon analysis (DHA) system. Based on the Agilent 6890 and 6850 GCs, the AC DHA product substantially improves the reliability of assigning more than 900 reference components of gasoline for routine quality control work.
Detailed Hydrocarbon Analysis GC Align
Falcon Analytical uses both LineUp and InStep to allow multivariate interpretations of chromatographic traces in real time. The product, Calidus GC, is a rapid means of doing quality control assessments using a rapid response FID instrument in a compact package.