PowderCalibrationQuality

What a powder calibration knows about the geometry it produced. A calibration that has gone wrong - the wrong standard named, a header too far out for the rings to be found - looks exactly like one that has not until these are read.

Properties

Name

Type

Description

Notes

converged

bool

Whether the geometry beside this is a measurement of the data at all. False means at least one of its parameters was carried over from the input file rather than fitted - which looks exactly like a good fit in every other field here - and see not_converged_reason for which. rugnux –mode calibration writes no .poni file in that case, a PONI file having no field in which to say it, and exits non-zero.

[optional]

not_converged_reason

str

What made converged false, in words. Absent when the calibration converged.

[optional]

calibrant

str

The powder standard the rings were fitted to, or the unit cell given in its place

[optional]

method

str

How the rings were measured. rings fits the arcs of the run-summed (q x azimuth) azimuthal profile; spots fits the pooled per-image spot lists.

[optional]

ring_points

int

Ring measurements the fit used

[optional]

rms_radial_pxl

float

Scatter of those measurements about the fitted rings, as a radial distance [pixels]. The single number that separates a calibration that worked from one that did not.

[optional]

beam_sigma_pxl

float

Standard error the scatter implies on the beam centre [pixels], for a ring of that many points. See powder_calibration_fit_sigma for what the fit itself says, which is not the same and is the larger of the two whenever the tilt is poorly separated.

[optional]

direct_beam_x_pxl

float

Where the direct beam lands [pixels]. NOT dataset_settings.beam_x_pxl, which is the PONI: the two part company by distance*tan(tilt)/pixel as soon as the detector is tilted.

[optional]

direct_beam_y_pxl

float

Where the direct beam lands, y [pixels]

[optional]

header_distance_mm

float

The detector distance the input file declared, for comparison [mm]

[optional]

ring_seed_distance_mm

float

The distance measured from the ring radii before the fit ran [mm]. It is taken from the radii, the wavelength and the pixel size alone, so a large gap from header_distance_mm is the answer to the question the calibration was run to ask. Absent when the profile showed too few rings to fix a scale.

[optional]

tilt_refined

bool

Whether the reported rot1/rot2 were measured by this fit. False means they were declined and pinned at the input file’s values, because the rings could not separate a tilt from a shift of the beam centre.

[optional]

tilt_significance

float

How many of its own sigmas the fitted tilt stands from zero. Below about 3 it is not a measurement of a tilt but of a beam-centre shift, and the tilt is declined. Passing does not certify a tilt: that estimator is limited by systematics rather than by this sigma.

[optional]

fit_sigma

PowderCalibrationFitSigma

[optional]

spot_cross_check

PowderCalibrationSpotCheck

[optional]

Example

from jfjoch_client.models.powder_calibration_quality import PowderCalibrationQuality

# TODO update the JSON string below
json = "{}"
# create an instance of PowderCalibrationQuality from a JSON string
powder_calibration_quality_instance = PowderCalibrationQuality.from_json(json)
# print the JSON string representation of the object
print(PowderCalibrationQuality.to_json())

# convert the object into a dict
powder_calibration_quality_dict = powder_calibration_quality_instance.to_dict()
# create an instance of PowderCalibrationQuality from a dict
powder_calibration_quality_from_dict = PowderCalibrationQuality.from_dict(powder_calibration_quality_dict)

[Back to Model list] [Back to API list] [Back to README]