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LmaIsotopeFitter1D Parameters

Parameters of LmaIsotopeFitter1D:

NameTypeDefaultRestrictionsDescription
interpolation_stepfloat0.1 Sampling rate for the interpolation of the model function.
tolerance_stdev_bounding_boxfloat3 Bounding box has range [minimim of data, maximum of data] enlarged by tolerance_stdev_bounding_box times the standard deviation of the data.
max_iterationint500 Maximum number of iterations using by Levenberg-Marquardt algorithm.
deltaAbsErrorfloat0.0001 Absolute error used by the Levenberg-Marquardt algorithm.
deltaRelErrorfloat0.0001 Relative error used by the Levenberg-Marquardt algorithm.
chargeint1 Charge state of the model.
total_intensityfloat100 Total intensity under the curve in mz dimension.
monoisotopic_massfloat0 Monoisotopic mz of the model.
statistics:meanfloat0 Centroid m/z (as opposed to monoisotopic m/z).
statistics:variancefloat1 Variance of the model.
averagines:Cfloat0.0443 Number of C atoms per Daton of mass.
averagines:Hfloat0.007 Number of H atoms per Daton of mass.
averagines:Nfloat0.0037 Number of N atoms per Daton of mass.
averagines:Ofloat0.022 Number of O atoms per Daton of mass.
averagines:Sfloat0.00037 Number of S atoms per Daton of mass.
isotope:trim_right_cutofffloat0.001 Cutoff in averagine distribution, trailing isotopes below this relative intensity are not considered.
isotope:maximumint100 Maximum isotopic rank to be considered.
isotope:distancefloat1.000495 Distance between consecutive isotopic peaks.
isotope:stdevfloat0.1 Standard deviation of gaussian applied to the averagine isotopic pattern to simulate the inaccuracy of the mass spectrometer.

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