v1.0.0-rc.166 (#76)

* `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>
2026-09-02 21:17:31 +02:00
parent 511be0c366
commit 680c36c20d
383 changed files with 20910 additions and 3936 deletions
@@ -19,6 +19,8 @@ Name | Type | Description | Notes
 **compression** | **str** | Compression type for the images transferred over ZeroMQ and saved to HDF5 file.  | [optional] [default to 'bslz4']
 **total_flux** | **float** | /entry/beam/total_flux in NXmx Flux incident on beam plane in photons per second. In other words this is the flux integrated over area. [photons/s]  | [optional] 
 **transmission** | **float** | /entry/instrument/attenuator/attenuator_transmission Transmission of attenuator (filter) [no units]  | [optional] 
+**beam_size_x_um** | **float** | First element of /entry/instrument/beam/incident_beam_size in NXmx Horizontal size of the X-ray beam where it meets the sample - the FWHM of a focused beam, the full width of a slit-defined one. [um]  | [optional] 
+**beam_size_y_um** | **float** | Second element of /entry/instrument/beam/incident_beam_size in NXmx Vertical size of the X-ray beam where it meets the sample. [um]  | [optional] 
 **goniometer** | [**RotationAxis**](RotationAxis.md) |  | [optional] 
 **grid_scan** | [**GridScan**](GridScan.md) |  | [optional] 
 **header_appendix** | **object** | Header appendix, added as user_data/user to start ZeroMQ message (can be any valid JSON) In general, it is not saved in HDF5 file.  However, if values are placed in \&quot;hdf5\&quot; object, &#x60;jfjoch_writer&#x60; will write them in /entry/user of the HDF5 file.  This applies solely to string and number (double floating-point). No arrays/sub-objects is allowed. For example {\&quot;hdf5\&quot;: {\&quot;val1\&quot;:1, \&quot;val2\&quot;:\&quot;xyz\&quot;}}, will write /entry/user/val1 and /entry/user/val2.  | [optional]