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IsotopeModel Parameters

Parameters of IsotopeModel:

NameTypeDefaultRestrictionsDescription
cutofffloat0 Low intensity cutoff of the model. Peaks below this intensity are not considered part of the model.
interpolation_stepfloat0.1 Sampling rate for the interpolation of the model function
intensity_scalingfloat1 Scaling factor used to adjust the model distribution to the intensities of the data
chargeint1 Charge state 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.
statistics:meanfloat0 Centroid m/z (as opposed to monoisotopic m/z).

Note:


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