Name | Type | Default | Restrictions | Description |
delta_abs_error | float | 1e-05 | | if the absolute error gets smaller than this value the fitting is stopped. |
delta_rel_error | float | 1e-05 | | if the relative error gets smaller than this value the fitting is stopped. |
iterations | int | 10 | | maximal number of iterations for the fitting step |
penalties:position | float | 0 | | If the position changes more than 0.2Da during the fitting it can be penalized |
penalties:height | float | 1 | | penalty term for the fitting of the intensity:If it gets negative during the fitting it can be penalized. |
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. |
2d:tolerance_mz | float | 2.2 | | mz tolerance for cluster construction |
2d:max_peak_distance | float | 1.2 | | maximal peak distance in mz in a cluster |