Method for time-alignment of chromatography-mass spectrometry data sets
Abstract:
A method is disclosed for adjusting the time scale of chromatography-mass spectrometry data sets, wherein a time scale of a first data set is used as a reference time scale and wherein a time scale of at least one second data set is adapted to the reference time scale. The steps of the method include identifying feature groups in the first data set by evaluating intensities of consecutive points of the first data set; identifying feature groups in the second data set by evaluating intensities of consecutive points of the second data set; matching feature groups of the first data set to feature groups of the second data set, and determining a corrected time scale for the second data set based on time differences between feature groups in the first data set and matching feature groups in the second data set.
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