Peak selection in multidimensional data
AssigneeSurroMed, Inc.
InventorCurtis A. Hastings
Life of this patent
Estimating the term…
Abstract
An automatic peak selection method for multidimensional data that selects peaks from very noisy data such as two-dimensional liquid chromatography-mass spectrometry (LC-MS) data is described. Such data are characterized by non-normally distributed noise that varies in different dimensions. The method computes local noise thresholds for each one-dimensional component of the data. Each point has a local noise threshold applied to it for each dimension of the data set, and a point is selected as a candidate peak only if its value exceeds all of the applied local noise thresholds. Contiguous candidate peaks are clustered into actual peaks. The method is preferably implemented as part of a high-throughput platform for analyzing complex biological mixtures.
Claims17
A method for automatically detecting peaks in an n-dimensional data set, where n≧2, comprising:
- acquiring said n-dimensional data set from an analytical instrument;
- independently applying m one-dimensional peak selection criteria to each data point in said data set, wherein 2≦m≦n, each peak selection criterion corresponding to a particular dimension;
- and
- identifying candidate peaks in said data points, wherein each candidate peak satisfies p of said m applied selection criteria, wherein 2≦p≦m.
A method for detecting components in a chemical mixture, comprising:
- subjecting said mixture to chromatography and mass spectrometry using an instrument;
- acquiring a two-dimensional data set comprising mass spectra and mass chromatograms from said instrument;
- computing a local noise threshold for each acquired mass spectrum and for each acquired mass chromatogram;
- applying corresponding mass spectrum and mass chromatogram noise thresholds to each data point in said two-dimensional data set;
- and
- identifying candidate peaks, wherein each candidate peak exceeds said corresponding mass spectrum noise threshold and said corresponding mass chromatogram noise threshold.
A program storage device accessible by a processor, tangibly embodying a program of instructions executable by said processor to perform method steps for automatically detecting peaks in an n-dimensional data set, where n≧2, said method steps comprising:
- acquiring said n-dimensional data set from an analytical instrument;
- independently applying m one-dimensional peak selection criteria to each data point in said data set, wherein 2≦m≦n, each peak selection criterion corresponding to a particular dimension;
- and
- identifying candidate peaks in said data points, wherein each candidate peak satisfies p of said m applied selection criteria, wherein 2≦p≦m.
Dependencies are inferred from the claim text.