| abstract |
Chromatograms and mass spectra generated by the LC / MS system are analyzed by creating a two-dimensional data matrix of spectral data and chromatographic data. A two-dimensional matrix can be created by placing the spectra generated by the mass spectrometer portion of the LC / MS system in successive columns of the data matrix. In this way, the rows of the data matrix correspond to chromatographic data and the columns of the data matrix correspond to the spectrum. To increase the ability of the system to detect peaks associated with ions, a two-dimensional filter is specified and applied to the data matrix. A two-dimensional filter is specified according to the desired baseline. The rank 1 and rank 2 filters can be specified to improve calculation efficiency. In one method of applying a two-dimensional filter, an output data matrix is generated by convolution of a data matrix and a two-dimensional filter. The peaks corresponding to the detected ions are identified in the output data matrix. For example, peaks associated with ions whose peak parameters are determined, quantified, or have a retention time that falls within a specified retention time window, or that have a mass to charge ratio that falls within a specified mass to charge ratio window Stored for post-processing, including simplification of the chromatogram or spectrum by identifying. |