Crystalline Sample

Source Code Documentation

A Crystalline Sample.

Sample(operator, name, lattice)	A crystalline sample mounted on a diffractometer.
SampleError	Custom exceptions from hklpy2.operations.sample.

class hklpy2.operations.sample.Sample(operator, name: str, lattice: Lattice)

Bases: object

A crystalline sample mounted on a diffractometer.

Note

Internal use only.

Python Methods

refine_lattice()

Refine the lattice parameters from 3 or more reflections.

Python Properties

_asdict()	Describe the sample as a dictionary.
lattice	Sample crystal lattice.
name	Sample name.
reflections	Ordered dictionary of orientation reflections.
U	Return the matrix, U, crystal orientation on the diffractometer.
UB	Return the crystal orientation matrix, UB.

property U: list[list[float]]

Return the matrix, U, crystal orientation on the diffractometer.

property UB: list[list[float]]

Return the crystal orientation matrix, UB.

• \(UB\) - orientation matrix

• \(B\) - crystal lattice on the diffractometer

• \(U\) - rotation matrix, relative orientation of crystal on diffractometer

_asdict()

Describe the sample as a dictionary.

_fromdict(config)

Redefine sample from a (configuration) dictionary.

property digits

Sample crystal lattice.

property lattice

Sample crystal lattice.

property name

Sample name.

refine_lattice()

Refine the lattice parameters from 3 or more reflections.

property reflections

Ordered dictionary of orientation reflections.