Patent ID: 7457708
Filing Date: 2008-11-25
Classification: G01N,G16C,H01J,Y10T

Abstract:
1. A method for identifying related ions in an input data set of spectra produced by analyzing a sample comprising: correlating each row of data in an input data set with every other row of data in said input data set producing a correlation matrix composed of elements, each row representing ion intensities over time for a particular range of values, said values representing mass-to-charge (m/z) ratios of said ions, each element of said correlation matrix including a correlation value and having associated row and column identifiers identifying which rows in said input data set are associated with said correlation value, wherein said correlation value indicates a degree to which rows identified by said row and column identifiers are related to one another; clustering said correlation matrix identifying at least one group of correlated ranges of said values, wherein at least one row of said correlation matrix is identified as being in said at least one group, each group representing covarying ion chromatograms over a plurality of time periods; selecting at least one time period of interest for each group; and producing and outputting to a user a resultant spectrum identifying related ions for each group by sampling said ion chromatograms included in each of said groups at each of said at least one time period of interest.