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Update tutorial data index and wording
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‎docs/docs/tutorials/exercise-refine-si-lbco.ipynb‎

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@@ -2513,7 +2513,7 @@
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"# Set Space Group\n",
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"project_2.structures.create(name='si')\n",
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"project_2.structures['si'].space_group.name_h_m = 'F d -3 m'\n",
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"project_2.structures['si'].space_group.coord_system_code = '2'\n",
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"project_2.structures['si'].space_group.coord_system_code = '1'\n",
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"\n",
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"# Set Lattice Parameters\n",
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"project_2.structures['si'].cell.length_a = 5.43\n",
@@ -2522,9 +2522,10 @@
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"project_2.structures['si'].atom_sites.create(\n",
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" id='Si',\n",
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" type_symbol='Si',\n",
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" fract_x=0.125,\n",
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" fract_y=0.125,\n",
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" fract_z=0.125,\n",
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" fract_x=0.0,\n",
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" fract_y=0.0,\n",
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" fract_z=0.0,\n",
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" adp_type='Biso',\n",
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" adp_iso=0.89,\n",
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")\n",
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"\n",

‎docs/docs/tutorials/refine-lmo-echidna.ipynb‎

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@@ -127,8 +127,8 @@
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"structure_cif = \"\"\"\n",
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"data_lmo\n",
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"\n",
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"_cell.length_a 2.88\n",
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"_cell.length_b 2.88\n",
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"_cell.length_a 2.88\n",
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"_cell.length_b 2.88\n",
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"_cell.length_c 14.18\n",
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"_cell.angle_alpha 90.\n",
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"_cell.angle_beta 90.\n",
@@ -146,11 +146,11 @@
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"_atom_site.occupancy\n",
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"_atom_site.adp_iso\n",
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"_atom_site.adp_type\n",
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"O O 0. 0. 0.26 1.0000 0.94645 Biso\n",
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"Ni1 Ni 0. 0. 0.50 0.0184 1.00000 Biso\n",
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"Li1 Li 0. 0. 0.50 0.9816 1.00000 Biso\n",
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"Li2 Li 0. 0. 0.00 0.0184 1.00000 Biso\n",
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"Ni2 Ni 0. 0. 0.00 0.9816 1.00000 Biso\n",
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"O O 0. 0. 0.26 1.0000 0.94645 Biso\n",
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"Ni1 Ni 0. 0. 0.5 0.0184 1.00000 Biso\n",
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"Li1 Li 0. 0. 0.5 0.9816 1.00000 Biso\n",
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"Li2 Li 0. 0. 0.0 0.0184 1.00000 Biso\n",
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"Ni2 Ni 0. 0. 0.0 0.9816 1.00000 Biso\n",
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"\"\"\""
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]
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},
@@ -234,9 +234,9 @@
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"\n",
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"### Download Data\n",
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"\n",
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"Download the LMO pattern from the versioned EasyScience diffraction\n",
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"data repository. The columns contain 2-theta, intensity, and the\n",
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"standard uncertainty of the measured intensity."
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"Download the LMO pattern from the EasyDiffraction online data\n",
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"repository. The columns contain 2-theta, intensity, and the standard\n",
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"uncertainty of the measured intensity."
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]
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},
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{
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"metadata": {},
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"outputs": [],
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"source": [
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"experiment.linked_structures.create(\n",
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" structure_id='lmo',\n",
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" scale=10.0,\n",
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")"
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"experiment.linked_structures.create(structure_id='lmo', scale=10.0)"
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]
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},
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{

‎docs/docs/tutorials/refine-lmo-echidna.py‎

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#
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# ### Download Data
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#
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# Download the LMO pattern from the versioned EasyScience diffraction
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# data repository. The columns contain 2-theta, intensity, and the
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# standard uncertainty of the measured intensity.
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# Download the LMO pattern from the EasyDiffraction online data
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# repository. The columns contain 2-theta, intensity, and the standard
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# uncertainty of the measured intensity.
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# %%
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data_path = edi.download_data('meas-lmo-echidna', destination='data')
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