System and methods for non-targeted processing of chromatographic data

Methods for processing hyphenated chromatographic data to delineate components of a sample are disclosed. According to one aspect, the method includes obtaining hyphenated chromatographic data points for a sample, each data point comprising at least three dimensions, one of the dimensions being a co...

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Bibliographische Detailangaben
Hauptverfasser: COFFIN MARIE, WINFIELD STEPHANIE, HAAS WILLIAM DAVID
Format: Patent
Sprache:eng
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Beschreibung
Zusammenfassung:Methods for processing hyphenated chromatographic data to delineate components of a sample are disclosed. According to one aspect, the method includes obtaining hyphenated chromatographic data points for a sample, each data point comprising at least three dimensions, one of the dimensions being a continuous dimension, and subjecting at least a portion of the data points to an algorithm that organizes the data points into discrete clusters according to the data points' continuous dimension values by starting at either a smallest or largest value and delineating at a largest gap between adjacent values within a predetermined resolution window, wherein the resulting clusters are of varying width of less than or equal to the width of the resolution window and wherein at least some of the clusters are indicative of components of the sample.