CalibrationData#
- class pyopenms.CalibrationData#
Bases:
object
Cython implementation of _CalibrationData
Original C++ documentation is available here
- __init__()#
Overload:
- __init__(self) None
Overload:
- __init__(self, in_0: CalibrationData) None
Methods
Overload:
clear
(self)Remove all calibration points
empty
(self)Returns True if there are no peaks
getError
(self, in_0)Retrieve the error for i'th calibrant in either ppm or Th (depending on usePPM())
getGroup
(self, i)Retrieve the group of the i'th calibration point
getIntensity
(self, in_0)Retrieve the intensity of the i'th calibration point
getMZ
(self, in_0)Retrieve the observed m/z of the i'th calibration point
__static_CalibrationData_getMetaValues() -> List[bytes]
getNrOfGroups
(self)Number of peak groups (can be 0)
getRT
(self, in_0)Retrieve the observed RT of the i'th calibration point
getRefMZ
(self, in_0)Retrieve the theoretical m/z of the i'th calibration point
getWeight
(self, in_0)Retrieve the weight of the i'th calibration point
insertCalibrationPoint
(self, rt, mz_obs, ...)median
(self, in_0, in_1)Compute the median in the given RT range for every peak group
setUsePPM
(self, in_0)size
(self)Number of calibration points
sortByRT
(self)Sort calibration points by RT, to allow for valid RT chunking
usePPM
(self)Current error unit (ppm or Th)
- clear(self) None #
Remove all calibration points
- empty(self) bool #
Returns True if there are no peaks
- getError(self, in_0: int) float #
Retrieve the error for i’th calibrant in either ppm or Th (depending on usePPM())
- getGroup(self, i: int) int #
Retrieve the group of the i’th calibration point
- getIntensity(self, in_0: int) float #
Retrieve the intensity of the i’th calibration point
- getMZ(self, in_0: int) float #
Retrieve the observed m/z of the i’th calibration point
- getMetaValues()#
__static_CalibrationData_getMetaValues() -> List[bytes]
- getNrOfGroups(self) int #
Number of peak groups (can be 0)
- getRT(self, in_0: int) float #
Retrieve the observed RT of the i’th calibration point
- getRefMZ(self, in_0: int) float #
Retrieve the theoretical m/z of the i’th calibration point
- getWeight(self, in_0: int) float #
Retrieve the weight of the i’th calibration point
- insertCalibrationPoint(self, rt: float, mz_obs: float, intensity: float, mz_ref: float, weight: float, group: int) None #
- median(self, in_0: float, in_1: float) CalibrationData #
Compute the median in the given RT range for every peak group
- setUsePPM(self, in_0: bool) None #
- size(self) int #
Number of calibration points
- sortByRT(self) None #
Sort calibration points by RT, to allow for valid RT chunking
- usePPM(self) bool #
Current error unit (ppm or Th)