Name | Type | Default | Restrictions | Description |
max_iteration | int | 10 | | maximal number of iterations for the fitting step |
eps_abs | float | 0.0001 | | if the absolute error gets smaller than this value the fitting is stopped |
eps_rel | float | 0.0001 | | if the relative error gets smaller than this value the fitting is stopped |
fwhm_threshold | float | 1 | | If a peaks is broader than fwhm_threshold, it is assumed that it contains another peaks and an additional peak is added. |
penalties:left_width | float | 0 | | 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_width | float | 0 | | 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:height | float | 0 | | penalty term for the fitting of the intensity:If it gets negative during the fitting it can be penalized. |
penalties:position | float | 0 | | 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. |