diff --git a/ImageD11/nbGui/TDXRD/3_3DXRD_look_at_peaks.ipynb b/ImageD11/nbGui/TDXRD/3_3DXRD_look_at_peaks.ipynb index b8d06dfa..b5ca1ae3 100755 --- a/ImageD11/nbGui/TDXRD/3_3DXRD_look_at_peaks.ipynb +++ b/ImageD11/nbGui/TDXRD/3_3DXRD_look_at_peaks.ipynb @@ -87,6 +87,30 @@ "print(ds.shape)" ] }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "ds.phases = ds.get_phases_from_disk()\n", + "ds.phases.unitcells" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# now let's select a phase to index from our parameters json\n", + "phase_str = 'Fe'\n", + "\n", + "ucell = ds.phases.unitcells[phase_str]\n", + "\n", + "print(ucell.lattice_parameters, ucell.spacegroup)" + ] + }, { "cell_type": "code", "execution_count": null, @@ -98,9 +122,7 @@ "# load 3d columnfile from disk\n", "\n", "cf_3d = ds.get_cf_3d_from_disk()\n", - "\n", - "cf_3d.parameters.loadparameters(ds.parfile)\n", - "cf_3d.updateGeometry()" + "ds.update_colfile_pars(cf_3d, phase_name=phase_str) " ] }, { @@ -114,9 +136,7 @@ "# load 2d columnfile from disk\n", "\n", "cf_2d = ds.get_cf_2d_from_disk()\n", - "\n", - "cf_2d.parameters.loadparameters(ds.parfile)\n", - "cf_2d.updateGeometry()" + "ds.update_colfile_pars(cf_2d, phase_name=phase_str) " ] }, { @@ -129,7 +149,7 @@ "source": [ "# load grains from disk\n", "\n", - "grains = ds.get_grains_from_disk()" + "grains = ds.get_grains_from_disk(phase_str)" ] }, {