• Patent Title: CHROMATOGRAM DATA PROCESSING METHOD AND CHROMATOGRAM DATA PROCESSING APPARATUS
  • Application No.: US15508285
    Application Date: 2014-09-03
  • Publication No.: US20170336370A1
    Publication Date: 2017-11-23
  • Inventor: Akira NODA
  • Applicant: SHIMADZU CORPORATION
  • Applicant Address: JP Kyoto-shi, Kyoto
  • Assignee: SHIMADZU CORPORATION
  • Current Assignee: SHIMADZU CORPORATION
  • Current Assignee Address: JP Kyoto-shi, Kyoto
  • International Application: PCT/JP2014/073196 WO 20140903
  • Main IPC: G01N30/86
  • IPC: G01N30/86
CHROMATOGRAM DATA PROCESSING METHOD AND CHROMATOGRAM DATA PROCESSING APPARATUS
Abstract:
The EM algorithm for a Gaussian mixture model is applied to the separation of peaks that overlap one another on a chromatogram. However, the number of overlapping components is unknown. Thus, a suitable number of models is set, and the fitting of model parameters is performed while an actually measured signal is appropriately divided for each model by the EM algorithm. Then, when a solution converges, a determination is made as to whether a peak-like waveform is present in a residue signal that is not divided. When the peak-like waveform is present, a peak model is added. The EM algorithm is executed again. In the M step, optimization is performed using, not only a simple Gaussian function, but also a modified Gaussian function assuming a tailing. In the M step, the estimation of a spectrum assuming a chromatogram and the estimation of a chromatogram assuming a spectrum are repeatedly performed.
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