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Spring 2013
Each individual chromatogram is typically very sparse, especially when coupled with a technique such as mass spectrometry. Only a small portion of the recorded data actually contains potentially useful information. Since the inclusion of irrelevant information will have detrimental effects upon...
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Fall 2017
Advancements in data acquisition technologies and the desire for rich data has led to an increase in the size of data collected from modern analytical instruments. With the aid of chemometric techniques, researchers are still able to glean more useful information from these kinds of data than...
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Decomposition and Feature Selection of Comprehensive 2-DimensionalGas Chromatography - Time-of-Flight Mass Spectrometry(GC×GC-TOFMS) Data
DownloadFall 2021
Comprehensive Two-Dimensional Gas Chromatography - Time-of-Flight Mass Spectrometry (GC×GC-TOFMS) is an advanced instrumental technique that separates complex mixtures along two chromatographic dimensions, followed by multivariate detection that collects mass spectral information at a high...
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Simulation of Fire Debris for the Training of Chemometric Models for the Identification of Ignitable Liquids
DownloadSpring 2015
Arson is one of the most challenging crimes for forensic scientists to investigate. The variability in the composition of ignitable liquids, including changes in chemical composition during and after the fire, and the presence of pyrolysis products generated from burning substrates yields a very...