Neural net system for analyzing chromatographic peaks
First Claim
1. A neural net system for characterizing a peak superimposed on a baseline comprising:
- a source of data signals representing said peak superimposed on said baseline;
an input layer comprising a plurality of input units operatively coupled to said source of data signals, each input unit generating an output signal in response to an input signal from respective ones of said data signals;
at least one hidden layer comprising a plurality of hidden units operatively coupled to said input units, each hidden unit generating an output signal in response to a plurality of output signals from said input units which is a weighted function of said output signals from said input units; and
an output layer comprising a plurality of output units operatively coupled to said plurality of hidden units, each output unit generating an output signal in response to a plurality of output signals from said hidden units whereinthe output signals from an output unit represent best estimates of a set of parameters which characterize said peak, said set of parameters from said output unit being determined without prior baseline correction to said data signals.
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Abstract
A two-step process for characterization of peaks in a chromatogram is disclosed. Firstly, data corresponding to each peak or pair of peaks in the chromatogram is identified. A unique filter apparatus locates extrema of the curvature of the chromatographic data and a data file is generated containing characteristics of the extrema. A pattern recognition apparatus analyzes the characteristics of the located extrema and classifies the peak or peak combination represented by the data in the file as one peak or peak combination in a set of resolved peaks and selected combinations of resolved peaks. A portion of the chromatographic data, corresponding to the peak or peak combination identified by the pattern recognition apparatus, is identified. This portion includes the signal for said peak and the signal for the baseline upon which the peak is superimposed. In the second step, data for a peak or a peak combination identified as described above is processed and a set of characterizing parameters for the peak or the first peak in the peak combination is generated without a prior baseline correction to the data. The peak data including the baseline level upon which the peak is superimposed is analyzed using one of lookup-tables, neural nets, curve fitting, or combinations thereof. These characterization processes, using information about the peak crest and the peak inflection points, determines a set of characterizing parameters and a baseline estimate that best fit the identified data. The peak characterization is not biased by a prior baseline correction.
127 Citations
15 Claims
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1. A neural net system for characterizing a peak superimposed on a baseline comprising:
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a source of data signals representing said peak superimposed on said baseline; an input layer comprising a plurality of input units operatively coupled to said source of data signals, each input unit generating an output signal in response to an input signal from respective ones of said data signals; at least one hidden layer comprising a plurality of hidden units operatively coupled to said input units, each hidden unit generating an output signal in response to a plurality of output signals from said input units which is a weighted function of said output signals from said input units; and an output layer comprising a plurality of output units operatively coupled to said plurality of hidden units, each output unit generating an output signal in response to a plurality of output signals from said hidden units wherein the output signals from an output unit represent best estimates of a set of parameters which characterize said peak, said set of parameters from said output unit being determined without prior baseline correction to said data signals. - View Dependent Claims (2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15)
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Specification