leonarski_f
680c36c20d
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* `rugnux --mode calibration` writes `<prefix>.json` beside the `.poni`, whose `dataset_settings` member is a `jfjoch_broker` `dataset_settings` body as it stands. * `rugnux` and `jfjoch_viewer` read PILATUS miniCBF sweeps natively, without conversion. * Masters written by other facilities open, including Eiger 1.x and third-party NXmx variants. * `rugnux` measures the beam centre on every run, and indexes with it when the file's value indexes nothing. * A detector swung out on a 2theta arm is placed where the file says it stands, and the calibration can hold the tilt fixed. * `rugnux` writes the unmerged MTZ by default, and a P1 merge beside it, so a wrong space group can be re-merged without reprocessing. * Significant improvements to symmetry handling in `rugnux`: the lattice, the point group, the setting and the systematic absences. * The `rugnux` report gives the resolution the CC1/2 fit reached, beside the range the reflections were written to. * The `rugnux` report gives the twinning statistics measured before the space group was decided, beside the ones measured after. * The `rugnux` report gives the strong-direction diffraction limit, and warns when CC1/2 is not monotone with resolution. * `rugnux` ranks screw axes on the evidence their absences carry, rather than on how many control reflections a candidate happens to have. * Twinning is no longer reported when the L-test contradicts it. * The `rugnux` report gives the detector tilt, the measured tilt and the direct beam beside the beam centre, and a post-refined beam centre is judged against the run's own measurement rather than the file's. * `--no-refine-tilt` holds the detector tilt at the value in the file, instead of zeroing it, when the calibration starts from the spots. * The `jfjoch_viewer` grid scan view draws the cells in the proportion of the scan steps, so the map has the shape of the scanned area. Reviewed-on: #76 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2.3 KiB
2.3 KiB
PowderCalibrationFitSigma
What the powder ring fit knows about its own answer, from the covariance of the converged problem. Each sigma is in its parameter's own unit and is scaled by the residual scatter of that fit, so it is the usual "how far could this move before the fit got visibly worse". The two correlations are the ones that matter: a tilt and a beam-centre shift both displace a ring's radius as cos(phi) and are told apart only by how that amplitude grows with the ring's radius, so as the rings run out the pair stops being separable and these approach 1. The rotation sigmas and the correlations are absent when the tilt was not a free parameter.
Properties
| Name | Type | Description | Notes |
|---|---|---|---|
| beam_x_pxl | float | Standard error of the fitted PONI x [pixels] | [optional] |
| beam_y_pxl | float | Standard error of the fitted PONI y [pixels] | [optional] |
| detector_distance_mm | float | Standard error of the fitted detector distance [mm] | [optional] |
| poni_rot1_rad | float | Standard error of the fitted rot1 [rad] | [optional] |
| poni_rot2_rad | float | Standard error of the fitted rot2 [rad] | [optional] |
| correlation_beam_x_rot1 | float | Correlation between the fitted PONI x and rot1, -1 to 1 | [optional] |
| correlation_beam_y_rot2 | float | Correlation between the fitted PONI y and rot2, -1 to 1 | [optional] |
Example
from jfjoch_client.models.powder_calibration_fit_sigma import PowderCalibrationFitSigma
# TODO update the JSON string below
json = "{}"
# create an instance of PowderCalibrationFitSigma from a JSON string
powder_calibration_fit_sigma_instance = PowderCalibrationFitSigma.from_json(json)
# print the JSON string representation of the object
print(PowderCalibrationFitSigma.to_json())
# convert the object into a dict
powder_calibration_fit_sigma_dict = powder_calibration_fit_sigma_instance.to_dict()
# create an instance of PowderCalibrationFitSigma from a dict
powder_calibration_fit_sigma_from_dict = PowderCalibrationFitSigma.from_dict(powder_calibration_fit_sigma_dict)