pyextal.jaxJoint.report

What a joint refinement prints and writes about the shared parameters.

Functions

_g(key)

print_link_table(table, datasets[, limit])

Each shared U_g: start value, where it appears and under which label.

print_shared_result(G, table, imag[, limit])

Start and refined value of each shared U_g (layer 1).

write_summary(path, js, datasets, G, table, history, ...)

The joint run as JSON: settings, datasets and their runs, shared U_g.

Module Contents

pyextal.jaxJoint.report._g(key)

Each shared U_g: start value, where it appears and under which label.

Labels read (h,k,l)+ (the same value), - (sign-flipped by a glide or screw), * (conjugated, the Friedel mate) or a phase in degrees.

Parameters:

  • table (dict) – From jaxJoint.datasets.prepare.

  • datasets (list) – The Dataset objects.

  • limit (int) – Rows printed; the rest are summarised.

pyextal.jaxJoint.report.print_shared_result(G, table, imag, limit=40)

Start and refined value of each shared U_g (layer 1).

pyextal.jaxJoint.report.write_summary(path, js, datasets, G, table, history, runs, stamp)

The joint run as JSON: settings, datasets and their runs, shared U_g.

Parameters:

  • path (Path) – Output file.

  • js (JointSettings) – Resolved settings.

  • datasets (list) – Dataset objects, after the refinement.

  • G (dict) – Final joint tree.

  • table (dict) – From prepare.

  • history (list) – Joint loss per step.

  • runs (dict) – Dataset name -> run key written to its file (or None).

  • stamp (str) – The joint run’s id.

Returns:

Path