Automating and Extending Comprehensive Two-Dimensional Gas Chromatography Data Processing by Interfacing Open-Source and Commercial Software
Michael Wilde, Bo Zhao, Rebecca L. Cordell, Wadah Ibrahim, Amisha Singapuri, Neil Greening, Christopher E. Brightling, Salman Siddiqui, P. S. Monks, Robert C. Free
Abstract
was reduced on average from 8 and 16% CV prealignment to less than 1 and 2% post alignment, respectively. The interface enables automation and creation of new functions and increases the interconnectivity between chemometric tools, providing a window for integrating data-processing software with larger informatics-based data management platforms.
Topics & Concepts
WorkflowInterfacingSoftwareAutomationInterface (matter)Computer scienceBespokeDatabaseScripting languageData miningSoftware engineeringComputer hardwareOperating systemPolitical scienceLawMechanical engineeringBubbleMaximum bubble pressure methodEngineeringMetabolomics and Mass Spectrometry StudiesAnalytical Chemistry and ChromatographyAdvanced Chemical Sensor Technologies