gemmi.Scaling class

Static methods

def get_overall_scale_factor(…)
def scale_value(…)

Methods

def calculate_r_factor(self, /) -> float
def fit_b_star_approximately(self, /) -> None
def fit_isotropic_b_approximately(self, /) -> None
def fit_parameters(self, /) -> float
def fit_parameters_with_nlopt(self, arg0: str, /) -> float
def get_overall_scale_factor(self, arg0: numpy.ndarray[numpy.int32], /) -> numpy.ndarray[numpy.float64]
def get_solvent_scale(self, stol2: numpy.ndarray[numpy.float64]) -> object
def prepare_points(self, calc: ComplexAsuData, obs: ValueSigmaAsuData, mask: ComplexAsuData = None) -> None
def scale_data(self, asu_data: ComplexAsuData, mask_data: ComplexAsuData = None) -> None

Special methods

def __init__(self, arg0: UnitCell, arg1: SpaceGroup, /) -> None

Properties

b_overall: SMat33d get set
b_sol: float get set
cell: UnitCell get set
k_overall: float get set
k_sol: float get set
parameters: list[float] get set
use_solvent: bool get set