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Model for spectral and chromatographic data

  • US 6,487,523 B2
  • Filed: 05/25/2001
  • Issued: 11/26/2002
  • Est. Priority Date: 04/07/1999
  • Status: Expired due to Fees
First Claim
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1. A method of determining whether a sample matches a reference species, the method comprising:

  • selecting N indices l1, l2, . . . lN of peaks in an indexed data set characterizing the reference species;

    selecting a first set of probabilities p1, p2, . . . pN that peaks will occur at indices l1, l2, . . . lN, respectively, of an indexed data set that characterizes the sample when the sample matches the reference species;

    selecting a second set of probabilities q1, q2, . . . qN that peaks will occur at indices l1, l2, . . . lN, respectively, of an indexed data set that characterizes the sample when the sample does not match the reference species;

    choosing a threshold Kc;

    obtaining an indexed observation data set x1, x2, . . . xN, where xj

    {0, 1} and xj=1 if and only if a peak is present in the sample at lj;

    deciding that the sample matches the reference species if λ



    Kc where λ

    =

    1

    j

    N






    log

    (1-pj1-qj)
    +

    1

    j

    N






    xj

    log

    [pj

    (1-qj)
    qj

    (1-pj)
    ]
    ;

    embedded imageanddeciding that the sample does not match the reference species if λ

    >

    Kc.

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