Extended isotope distribution fitter (1-dim.) approximated using linear interpolation. More...
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/ExtendedIsotopeFitter1D.h>
Inheritance diagram for ExtendedIsotopeFitter1D:
Public Member Functions | |
| ExtendedIsotopeFitter1D () | |
| Default constructor. | |
| ExtendedIsotopeFitter1D (const ExtendedIsotopeFitter1D &source) | |
| copy constructor | |
| virtual | ~ExtendedIsotopeFitter1D () |
| destructor | |
| virtual ExtendedIsotopeFitter1D & | operator= (const ExtendedIsotopeFitter1D &source) |
| assignment operator | |
| QualityType | fit1d (const RawDataArrayType &range, InterpolationModel *&model) |
| return interpolation model | |
Static Public Member Functions | |
| static Fitter1D * | create () |
| create new ExtendedIsotopeFitter1D object (function needed by Factory) | |
| static const String | getProductName () |
| name of the model (needed by Factory) | |
Protected Member Functions | |
| void | updateMembers_ () |
Protected Attributes | |
| CoordinateType | charge_ |
| isotope charge | |
| CoordinateType | isotope_stdev_ |
| standard derivation in isotope | |
| CoordinateType | monoisotopic_mz_ |
| monoistopic mass | |
| Int | max_isotope_ |
| maximum isotopic rank to be considered | |
Detailed Description
Extended isotope distribution fitter (1-dim.) approximated using linear interpolation.
Parameters of this class are:| Name | Type | Default | Restrictions | Description |
|---|---|---|---|---|
| interpolation_step | float | 0.2 | Sampling rate for the interpolation of the model function. | |
| tolerance_stdev_bounding_box | float | 3 | Bounding box has range [minimim of data, maximum of data] enlarged by tolerance_stdev_bounding_box times the standard deviation of the data. | |
| charge | int | 1 | Charge state of the model. | |
| statistics:mean | float | 1 | Centroid position of the model. | |
| statistics:variance | float | 1 | Variance of the model. | |
| isotope:stdev | float | 0.1 | Standard deviation of gaussian applied to the averagine isotopic pattern to simulate the inaccuracy of the mass spectrometer. | |
| isotope:monoisotopic_mz | float | 1 | Monoisotopic m/z of the model. | |
| isotope:maximum | int | 100 | Maximum isotopic rank to be considered. |
Note:
- If a section name is documented, the documentation is displayed as tooltip.
- Advanced parameter names are italic.
Constructor & Destructor Documentation
Default constructor.
| ExtendedIsotopeFitter1D | ( | const ExtendedIsotopeFitter1D & | source | ) |
copy constructor
| virtual ~ExtendedIsotopeFitter1D | ( | ) | [virtual] |
destructor
Member Function Documentation
| static Fitter1D* create | ( | ) | [inline, static] |
create new ExtendedIsotopeFitter1D object (function needed by Factory)
| QualityType fit1d | ( | const RawDataArrayType & | range, | |
| InterpolationModel *& | model | |||
| ) | [virtual] |
return interpolation model
Reimplemented from Fitter1D.
| virtual ExtendedIsotopeFitter1D& operator= | ( | const ExtendedIsotopeFitter1D & | source | ) | [virtual] |
assignment operator
| void updateMembers_ | ( | ) | [protected, virtual] |
Reimplemented from MaxLikeliFitter1D.
Member Data Documentation
CoordinateType charge_ [protected] |
isotope charge
CoordinateType isotope_stdev_ [protected] |
standard derivation in isotope
Int max_isotope_ [protected] |
maximum isotopic rank to be considered
CoordinateType monoisotopic_mz_ [protected] |
monoistopic mass
| OpenMS / TOPP release 1.10.0 | Documentation generated on Thu Mar 7 2013 09:42:56 using doxygen 1.7.1 |