Patent ID: 7983852

Claim:
A method of automatically identifying and characterizing spectral peaks of a spectrum generated by an analytical apparatus and reporting information relating to the spectral peaks to a user, comprising the steps of: receiving the spectrum generated by the analytical apparatus; automatically subtracting a baseline model curve defined by baseline model curve parameters from the spectrum so as to generate a baseline-corrected spectrum; automatically detecting and characterizing the spectral peaks in the baseline-corrected spectrum, the detecting and characterizing comprising calculating, for at least one spectral peak, a peak model curve defined by peak model curve parameters that provides a model fit to said at least one spectral peak, the calculating comprising determining, for said at least one spectral peak, the peak model curve that provides the best fit to said at least one spectral peak from among the group consisting of Gaussian distribution functions of the form I ⁡ ( x ; A , μ , σ 2 ) = A σ ⁢ 2 ⁢ ⁢ π ⁢ exp ( - ( x - μ ) 2 2 ⁢ ⁢ σ 2 ) , Gamma distribution functions of the form I ⁡ ( x ; A , x 0 , M , r ) = A ⁢ r M ⁡ ( x - x 0 ) M - 1 ⁢ ⅇ - r ⁡ ( x - x 0 ) Γ ⁡ ( M ) ⁢ ( x ≥ x 0 ) and exponentially modified Gaussian distribution functions of the form I ⁡ ( x ; A , x 0 , σ 2 , τ ) = A ⁢ ∫ - ∞ x ⁢ 1 σ ⁢ 2 ⁢ ⁢ π ⁢ ⁢ ⅇ - ( u - x 0 ) 2 / 2 ⁢ ⁢ σ 2 ⁢ 1 τ ⁢ ⅇ - ( x - u ) / τ ⁢ ⅆ u ⁢ ( x ≥ 0 ; τ > 0 ) wherein x is a spectrum dispersion variable, I is a spectrum intensity variable and A, x 0 , M, r, σ 2 , μ and τ are parameters; and reporting at least one item of information relating to each detected and characterized spectral peak to the user, wherein said baseline model curve parameters and said peak model curve parameters are neither input by nor exposed to the user prior to the reporting step.