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OptimizePeakDeconvolution Parameters

Parameters of OptimizePeakDeconvolution:

NameTypeDefaultRestrictionsDescription
max_iterationint10 maximal number of iterations for the fitting step
eps_absfloat0.0001 if the absolute error gets smaller than this value the fitting is stopped
eps_relfloat0.0001 if the relative error gets smaller than this value the fitting is stopped
fwhm_thresholdfloat1 If a peaks is broader than fwhm_threshold, it is assumed that it contains another peaks and an additional peak is added.
penalties:left_widthfloat0 penalty term for the fitting of the left width:If the left width gets too broad or negative during the fitting it can be penalized.
penalties:right_widthfloat0 penalty term for the fitting of the right width:If the right width gets too broad or negative during the fitting it can be penalized.
penalties:heightfloat0 penalty term for the fitting of the intensity:If it gets negative during the fitting it can be penalized.
penalties:positionfloat0 penalty term for the fitting of the peak position:If the position changes more than 0.5Da during the fitting it can be penalized as well as discrepancies of the peptide mass rule.

Note:


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