{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "0",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:12.507564Z",
     "iopub.status.busy": "2026-04-14T15:06:12.507358Z",
     "iopub.status.idle": "2026-04-14T15:06:12.511296Z",
     "shell.execute_reply": "2026-04-14T15:06:12.510513Z"
    },
    "tags": [
     "hide-in-docs"
    ]
   },
   "outputs": [],
   "source": [
    "# Check whether easydiffraction is installed; install it if needed.\n",
    "# Required for remote environments such as Google Colab.\n",
    "import importlib.util\n",
    "\n",
    "if importlib.util.find_spec('easydiffraction') is None:\n",
    "    %pip install easydiffraction==0.13.1"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "1",
   "metadata": {},
   "source": [
    "# Structure Refinement: LBCO+Si, McStas\n",
    "\n",
    "This example demonstrates a Rietveld refinement of La0.5Ba0.5CoO3\n",
    "crystal structure with a small amount of Si phase using time-of-flight\n",
    "neutron powder diffraction data simulated with McStas."
   ]
  },
  {
   "cell_type": "markdown",
   "id": "2",
   "metadata": {},
   "source": [
    "## Import Library"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "3",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:12.513003Z",
     "iopub.status.busy": "2026-04-14T15:06:12.512828Z",
     "iopub.status.idle": "2026-04-14T15:06:15.139577Z",
     "shell.execute_reply": "2026-04-14T15:06:15.138653Z"
    }
   },
   "outputs": [],
   "source": [
    "from easydiffraction import ExperimentFactory\n",
    "from easydiffraction import Project\n",
    "from easydiffraction import StructureFactory\n",
    "from easydiffraction import download_data"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "4",
   "metadata": {},
   "source": [
    "## Define Structures\n",
    "\n",
    "This section shows how to add structures and modify their\n",
    "parameters.\n",
    "\n",
    "### Create Structure 1: LBCO"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "5",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.141867Z",
     "iopub.status.busy": "2026-04-14T15:06:15.141476Z",
     "iopub.status.idle": "2026-04-14T15:06:15.146656Z",
     "shell.execute_reply": "2026-04-14T15:06:15.145651Z"
    }
   },
   "outputs": [],
   "source": [
    "structure_1 = StructureFactory.from_scratch(name='lbco')"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "6",
   "metadata": {},
   "source": [
    "#### Set Space Group"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "7",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.148648Z",
     "iopub.status.busy": "2026-04-14T15:06:15.148361Z",
     "iopub.status.idle": "2026-04-14T15:06:15.152625Z",
     "shell.execute_reply": "2026-04-14T15:06:15.151553Z"
    }
   },
   "outputs": [],
   "source": [
    "structure_1.space_group.name_h_m = 'P m -3 m'\n",
    "structure_1.space_group.it_coordinate_system_code = '1'"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "8",
   "metadata": {},
   "source": [
    "#### Set Unit Cell"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "9",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.154534Z",
     "iopub.status.busy": "2026-04-14T15:06:15.154318Z",
     "iopub.status.idle": "2026-04-14T15:06:15.158139Z",
     "shell.execute_reply": "2026-04-14T15:06:15.157088Z"
    }
   },
   "outputs": [],
   "source": [
    "structure_1.cell.length_a = 3.8909"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "10",
   "metadata": {},
   "source": [
    "#### Set Atom Sites"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "11",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.159949Z",
     "iopub.status.busy": "2026-04-14T15:06:15.159736Z",
     "iopub.status.idle": "2026-04-14T15:06:15.167868Z",
     "shell.execute_reply": "2026-04-14T15:06:15.166847Z"
    }
   },
   "outputs": [],
   "source": [
    "structure_1.atom_sites.create(\n",
    "    label='La',\n",
    "    type_symbol='La',\n",
    "    fract_x=0,\n",
    "    fract_y=0,\n",
    "    fract_z=0,\n",
    "    wyckoff_letter='a',\n",
    "    adp_iso=0.2,\n",
    "    occupancy=0.5,\n",
    ")\n",
    "structure_1.atom_sites.create(\n",
    "    label='Ba',\n",
    "    type_symbol='Ba',\n",
    "    fract_x=0,\n",
    "    fract_y=0,\n",
    "    fract_z=0,\n",
    "    wyckoff_letter='a',\n",
    "    adp_iso=0.2,\n",
    "    occupancy=0.5,\n",
    ")\n",
    "structure_1.atom_sites.create(\n",
    "    label='Co',\n",
    "    type_symbol='Co',\n",
    "    fract_x=0.5,\n",
    "    fract_y=0.5,\n",
    "    fract_z=0.5,\n",
    "    wyckoff_letter='b',\n",
    "    adp_iso=0.2567,\n",
    ")\n",
    "structure_1.atom_sites.create(\n",
    "    label='O',\n",
    "    type_symbol='O',\n",
    "    fract_x=0,\n",
    "    fract_y=0.5,\n",
    "    fract_z=0.5,\n",
    "    wyckoff_letter='c',\n",
    "    adp_iso=1.4041,\n",
    ")"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "12",
   "metadata": {},
   "source": [
    "### Create Structure 2: Si"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "13",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.169797Z",
     "iopub.status.busy": "2026-04-14T15:06:15.169590Z",
     "iopub.status.idle": "2026-04-14T15:06:15.173997Z",
     "shell.execute_reply": "2026-04-14T15:06:15.172956Z"
    }
   },
   "outputs": [],
   "source": [
    "structure_2 = StructureFactory.from_scratch(name='si')"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "14",
   "metadata": {},
   "source": [
    "#### Set Space Group"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "15",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.175973Z",
     "iopub.status.busy": "2026-04-14T15:06:15.175767Z",
     "iopub.status.idle": "2026-04-14T15:06:15.179303Z",
     "shell.execute_reply": "2026-04-14T15:06:15.178300Z"
    }
   },
   "outputs": [],
   "source": [
    "structure_2.space_group.name_h_m = 'F d -3 m'\n",
    "structure_2.space_group.it_coordinate_system_code = '2'"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "16",
   "metadata": {},
   "source": [
    "#### Set Unit Cell"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "17",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.181218Z",
     "iopub.status.busy": "2026-04-14T15:06:15.180908Z",
     "iopub.status.idle": "2026-04-14T15:06:15.184794Z",
     "shell.execute_reply": "2026-04-14T15:06:15.183816Z"
    }
   },
   "outputs": [],
   "source": [
    "structure_2.cell.length_a = 5.43146"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "18",
   "metadata": {},
   "source": [
    "#### Set Atom Sites"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "19",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.186640Z",
     "iopub.status.busy": "2026-04-14T15:06:15.186435Z",
     "iopub.status.idle": "2026-04-14T15:06:15.192315Z",
     "shell.execute_reply": "2026-04-14T15:06:15.190834Z"
    }
   },
   "outputs": [],
   "source": [
    "structure_2.atom_sites.create(\n",
    "    label='Si',\n",
    "    type_symbol='Si',\n",
    "    fract_x=0.0,\n",
    "    fract_y=0.0,\n",
    "    fract_z=0.0,\n",
    "    wyckoff_letter='a',\n",
    "    adp_iso=0.0,\n",
    ")"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "20",
   "metadata": {},
   "source": [
    "## Define Experiment\n",
    "\n",
    "This section shows how to add experiments, configure their parameters,\n",
    "and link the structures defined in the previous step.\n",
    "\n",
    "#### Download Data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "id": "21",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.193998Z",
     "iopub.status.busy": "2026-04-14T15:06:15.193811Z",
     "iopub.status.idle": "2026-04-14T15:06:15.411267Z",
     "shell.execute_reply": "2026-04-14T15:06:15.410396Z"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u001b[1;34mGetting data\u001b[0m\u001b[1;34m...\u001b[0m\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Data #\u001b[1;36m8\u001b[0m: La0.5Ba0.5CoO3 + Si, McStas simulation\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "✅ Data #\u001b[1;36m8\u001b[0m downloaded to \u001b[32m'data/ed-8.xye'\u001b[0m\n"
     ]
    }
   ],
   "source": [
    "data_path = download_data(id=8, destination='data')"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "22",
   "metadata": {},
   "source": [
    "#### Create Experiment"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "id": "23",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.412852Z",
     "iopub.status.busy": "2026-04-14T15:06:15.412668Z",
     "iopub.status.idle": "2026-04-14T15:06:15.504530Z",
     "shell.execute_reply": "2026-04-14T15:06:15.503549Z"
    }
   },
   "outputs": [],
   "source": [
    "experiment = ExperimentFactory.from_data_path(\n",
    "    name='mcstas',\n",
    "    data_path=data_path,\n",
    "    sample_form='powder',\n",
    "    beam_mode='time-of-flight',\n",
    "    radiation_probe='neutron',\n",
    "    scattering_type='bragg',\n",
    ")"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "24",
   "metadata": {},
   "source": [
    "#### Set Instrument"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "id": "25",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.506258Z",
     "iopub.status.busy": "2026-04-14T15:06:15.506041Z",
     "iopub.status.idle": "2026-04-14T15:06:15.509999Z",
     "shell.execute_reply": "2026-04-14T15:06:15.509234Z"
    }
   },
   "outputs": [],
   "source": [
    "experiment.instrument.setup_twotheta_bank = 94.90931761529106\n",
    "experiment.instrument.calib_d_to_tof_offset = 0.0\n",
    "experiment.instrument.calib_d_to_tof_linear = 58724.76869981215\n",
    "experiment.instrument.calib_d_to_tof_quad = -0.00001"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "26",
   "metadata": {},
   "source": [
    "#### Set Peak Profile"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "id": "27",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.511556Z",
     "iopub.status.busy": "2026-04-14T15:06:15.511382Z",
     "iopub.status.idle": "2026-04-14T15:06:15.515098Z",
     "shell.execute_reply": "2026-04-14T15:06:15.514330Z"
    }
   },
   "outputs": [],
   "source": [
    "experiment.peak.broad_gauss_sigma_0 = 45137\n",
    "experiment.peak.broad_gauss_sigma_1 = -52394\n",
    "experiment.peak.broad_gauss_sigma_2 = 22998\n",
    "experiment.peak.exp_decay_beta_0 = 0.0055\n",
    "experiment.peak.exp_decay_beta_1 = 0.0041\n",
    "experiment.peak.exp_rise_alpha_0 = 0\n",
    "experiment.peak.exp_rise_alpha_1 = 0.0097"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "28",
   "metadata": {},
   "source": [
    "#### Set Background"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "29",
   "metadata": {},
   "source": [
    "Select the background type."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "id": "30",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.516867Z",
     "iopub.status.busy": "2026-04-14T15:06:15.516691Z",
     "iopub.status.idle": "2026-04-14T15:06:15.522191Z",
     "shell.execute_reply": "2026-04-14T15:06:15.521203Z"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u001b[1;34mBackground type for experiment \u001b[0m\u001b[32m'mcstas'\u001b[0m\u001b[1;34m already set to\u001b[0m\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "line-segment\n"
     ]
    }
   ],
   "source": [
    "experiment.background_type = 'line-segment'"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "31",
   "metadata": {},
   "source": [
    "Add background points."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "id": "32",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.523694Z",
     "iopub.status.busy": "2026-04-14T15:06:15.523512Z",
     "iopub.status.idle": "2026-04-14T15:06:15.531234Z",
     "shell.execute_reply": "2026-04-14T15:06:15.530256Z"
    }
   },
   "outputs": [],
   "source": [
    "experiment.background.create(id='1', x=45000, y=0.2)\n",
    "experiment.background.create(id='2', x=50000, y=0.2)\n",
    "experiment.background.create(id='3', x=55000, y=0.2)\n",
    "experiment.background.create(id='4', x=65000, y=0.2)\n",
    "experiment.background.create(id='5', x=70000, y=0.2)\n",
    "experiment.background.create(id='6', x=75000, y=0.2)\n",
    "experiment.background.create(id='7', x=80000, y=0.2)\n",
    "experiment.background.create(id='8', x=85000, y=0.2)\n",
    "experiment.background.create(id='9', x=90000, y=0.2)\n",
    "experiment.background.create(id='10', x=95000, y=0.2)\n",
    "experiment.background.create(id='11', x=100000, y=0.2)\n",
    "experiment.background.create(id='12', x=105000, y=0.2)\n",
    "experiment.background.create(id='13', x=110000, y=0.2)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "33",
   "metadata": {},
   "source": [
    "#### Set Linked Phases"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "id": "34",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.533000Z",
     "iopub.status.busy": "2026-04-14T15:06:15.532824Z",
     "iopub.status.idle": "2026-04-14T15:06:15.536398Z",
     "shell.execute_reply": "2026-04-14T15:06:15.535500Z"
    }
   },
   "outputs": [],
   "source": [
    "experiment.linked_phases.create(id='lbco', scale=4.0)\n",
    "experiment.linked_phases.create(id='si', scale=0.2)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "35",
   "metadata": {},
   "source": [
    "## Define Project\n",
    "\n",
    "The project object is used to manage structures, experiments, and\n",
    "analysis.\n",
    "\n",
    "#### Create Project"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "id": "36",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:15.537790Z",
     "iopub.status.busy": "2026-04-14T15:06:15.537617Z",
     "iopub.status.idle": "2026-04-14T15:06:16.054512Z",
     "shell.execute_reply": "2026-04-14T15:06:16.053375Z"
    }
   },
   "outputs": [
    {
     "data": {
      "application/javascript": [
       "\n",
       "                (function() {\n",
       "                    var isDark = false;\n",
       "\n",
       "                    // Check JupyterLab theme\n",
       "                    if (document.body.classList.contains('jp-mod-dark') || \n",
       "                        document.body.classList.contains('theme-dark') ||\n",
       "                        document.body.classList.contains('vscode-dark')) {\n",
       "                        isDark = true;\n",
       "                    }\n",
       "\n",
       "                    // Check theme attribute\n",
       "                    var themeAttr = document.body.getAttribute('data-jp-theme-name');\n",
       "                    if (themeAttr && themeAttr.includes('dark')) {\n",
       "                        isDark = true;\n",
       "                    }\n",
       "\n",
       "                    // Check computed background color\n",
       "                    var notebookEl = document.querySelector('.jp-Notebook') || \n",
       "                                   document.querySelector('.notebook_app') ||\n",
       "                                   document.body;\n",
       "                    if (notebookEl) {\n",
       "                        var bgColor = window.getComputedStyle(notebookEl).backgroundColor;\n",
       "                        var rgb = bgColor.match(/\\d+/g);\n",
       "                        if (rgb && rgb.length >= 3) {\n",
       "                            var brightness = (parseInt(rgb[0]) + parseInt(rgb[1]) + parseInt(rgb[2])) / 3;\n",
       "                            if (brightness < 128) {\n",
       "                                isDark = true;\n",
       "                            }\n",
       "                        }\n",
       "                    }\n",
       "\n",
       "                    // Store result\n",
       "                    if (typeof IPython !== 'undefined' && IPython.notebook && IPython.notebook.kernel) {\n",
       "                        IPython.notebook.kernel.execute('_jupyter_dark_detect_result = ' + isDark);\n",
       "                    }\n",
       "                })();\n",
       "            "
      ],
      "text/plain": [
       "<IPython.core.display.Javascript object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "application/javascript": [
       "\n",
       "            if (typeof IPython !== 'undefined' && IPython.notebook) {\n",
       "                IPython.notebook.kernel.execute(\"_jupyter_dark_detect_result = \" + \n",
       "                    (document.body.classList.contains('theme-dark') || \n",
       "                     document.body.classList.contains('jp-mod-dark') ||\n",
       "                     (document.body.getAttribute('data-jp-theme-name') && \n",
       "                      document.body.getAttribute('data-jp-theme-name').includes('dark'))));\n",
       "            }\n",
       "        "
      ],
      "text/plain": [
       "<IPython.core.display.Javascript object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "project = Project()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "37",
   "metadata": {},
   "source": [
    "#### Add Structures"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "id": "38",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:16.056477Z",
     "iopub.status.busy": "2026-04-14T15:06:16.056258Z",
     "iopub.status.idle": "2026-04-14T15:06:16.060383Z",
     "shell.execute_reply": "2026-04-14T15:06:16.059428Z"
    }
   },
   "outputs": [],
   "source": [
    "project.structures.add(structure_1)\n",
    "project.structures.add(structure_2)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "39",
   "metadata": {},
   "source": [
    "#### Show Structures"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "id": "40",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:16.062384Z",
     "iopub.status.busy": "2026-04-14T15:06:16.062163Z",
     "iopub.status.idle": "2026-04-14T15:06:16.067415Z",
     "shell.execute_reply": "2026-04-14T15:06:16.066639Z"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u001b[1;34mDefined structures 🧩\u001b[0m\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u001b[1m[\u001b[0m\u001b[32m'lbco'\u001b[0m, \u001b[32m'si'\u001b[0m\u001b[1m]\u001b[0m\n"
     ]
    }
   ],
   "source": [
    "project.structures.show_names()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "41",
   "metadata": {},
   "source": [
    "#### Add Experiments"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "id": "42",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:16.069377Z",
     "iopub.status.busy": "2026-04-14T15:06:16.069196Z",
     "iopub.status.idle": "2026-04-14T15:06:16.072011Z",
     "shell.execute_reply": "2026-04-14T15:06:16.071217Z"
    }
   },
   "outputs": [],
   "source": [
    "project.experiments.add(experiment)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "43",
   "metadata": {},
   "source": [
    "#### Set Excluded Regions\n",
    "\n",
    "Show measured data as loaded from the file."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "id": "44",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:16.073501Z",
     "iopub.status.busy": "2026-04-14T15:06:16.073326Z",
     "iopub.status.idle": "2026-04-14T15:06:16.644826Z",
     "shell.execute_reply": "2026-04-14T15:06:16.644024Z"
    }
   },
   "outputs": [
    {
     "data": {
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XOMGnRO88\\u002fzC\\u002fbnmdA0T9ozYUm4m7QP1PuXljy584\\u002fq3j\\u002fXRR30D+dqhlr+ezPPz0a6um6ns8\\u002fgZusNG+Wzz8xUk8wsonQP6hcNCAIkM4\\u002fZM\\u002fUwp9Czj8vK5352rfQPzyecusJ388\\u002fsK3P4Hka0D+olw55GS3TP4FIRF2AJNU\\u002fk5MuIO\\u002fv2T+VRt23Z3DbP1S7mazSP9w\\u002fY6lO9Iir2T++ppuz6V\\u002fZP8ybA+v1ReA\\u002fJy5ENYDm6D+d5Y7UTCL3PyeHYH7wuQNA6e\\u002fpJYIDCUAQURTWD28JQDCkMY3+YANA422m5oVH9z\\u002fYoVJJ8w7qP3RAUDRVcN4\\u002fT7Kt8qik1j+MtOZDoIjSP9t3PHy7PNA\\u002f+ue2za+jzj8ag5hp3zXQP850Vep5DM8\\u002fOk66Vhc+0D+ljzTAa67PP0RQESwpks0\\u002fdJ3SZmVT0D8ZLdLPqxfOPwcFTN0J9NA\\u002f1Ms9Ryu\\u002fzz\\u002fFxrSQgYfQP7HJ3VecBdI\\u002f85Md4+iD0j8dQuRH\\u002fmDZP55qTOiem98\\u002f71f1JIZN7D8I5JmNNm38P\\u002fzvRqEHtAtA6NCfRHSEFkBasrxk0ukaQEc6tElcyxhAhq9duQdfEUCUSUHS0ZIDQAOUcz\\u002f0m\\u002fQ\\u002fyWKhZwqL5j9So\\u002fHtxr3dP7cGRxCM6NM\\u002fyM0GBoaF0T+NedhSS9zQPzTqCznvbdA\\u002fjYuyEi9Nzj\\u002fqBCkl22XOP4XzLROqqc0\\u002f4czCVrlxzj\\u002fxlqPnzWzPP6Y2m5e9JM8\\u002fpwbmg4i5zj+bX+URgfzOP4xVKwcghc0\\u002fp\\u002foG8g34zz9MZQiZLYnQP0vVIS3Kfc4\\u002fWNdcc\\u002fdY0D+TTF4u4OrPP9lLHKcQANA\\u002fPf9enqYP0D+UVllPXV3SP+dw\\u002fnMc4NQ\\u002fTB800\\u002fmv3T8Qz5Ndjt\\u002fkP6mz0rpUqOs\\u002fttH7\\u002foKF7z84DFok\\u002fs\\u002frP4Xs24t7a+Q\\u002fJ0VG1Iyn3D8vgabGhljWP3SbMO0ByNQ\\u002fznUqwpRc1D+RRaQUf5HVP1xv2XSjbtc\\u002f5bwqb6sc2D\\u002f3mx71rMzWP0ixGdrkf9M\\u002fv3guLc710D+jnNTT8ujQP0EqPUFdDM4\\u002fZRFim5Bt0D98WnYsFzbPP7kCE+NvbdA\\u002fvQy1tbebzT+p2Y+mvZvOP2Ty9JFxONA\\u002fxH1DlNbTzj+\\u002fBjPSkT\\u002fOP1VBd+w91M4\\u002f9o6yKL3jzj\\u002fepSkoCb3NP98cxyXgOs4\\u002fuAf1vOhyzz8hTgWzkoLNP8yMqc3wWs4\\u002fliqcewl3zz\\u002fJqxDtoTjPP57R4j+Bac4\\u002fnrn3Hnfazj9FMoG+HDXOP0QESFTrKdA\\u002fN1FudZ05zj\\u002fVz46QWKbPP4S0+9dRZc4\\u002fIfJp+GNtzj\\u002fKLJmlbYfPPyYhBxWG9c0\\u002fP3Rt3SUTzz8A6EhjY9rOP09kB5yTG88\\u002fV\\u002fKK841ozz\\u002f+bl53iH\\u002fPPynsKLFbCtA\\u002f2TQoidbFzT+ReHqQH1zOP8ErjXCiF84\\u002fIECLNau0zj8yu1mH72DPP33O1BfxLM4\\u002fHfoxDCbIzz+vVn2T\\u002foLQP598Ri5SLc4\\u002fBX6QR8qOzj\\u002fyWsaGO27OP2GOllLExc0\\u002fM065IaQQ0D91vwB2J9nOP7kzPMcqMs8\\u002fTb2axNjEzj9cNKeIB93OP+6UZ5\\u002fSIc8\\u002fmGcGDC4p0D8WX1zydnbQP+KK63xxldM\\u002f8hkLgSXm0z98CYIvUejVP+G\\u002fB+IB0dc\\u002fh6KokO1L2D\\u002fhpKkC6JXaP4AbEnH72eE\\u002fzb5Ex4ua6j85v+5iWpP3P74lr3H+7QVA\\u002f4ybrCMsFEDo1mVQsRUgQAfuPfqkgSRAzVG6NFi3JEB6Ub4tdHcgQJtefhRkHxZAJ2oPHnisCUB1Til+1bL8Pz9QVOf0oPA\\u002fIQZGHaP05T9Jl85+NNzdP1psD4L\\u002fjNY\\u002f6fhwer1d0z8WmGMKv0DSP53+s1fqjM8\\u002fpq9sGTHyzT\\u002fpOnkptGzPP7UGLstOKc4\\u002fqiVqe8opzT+p1V8wYa7OP1PtxIPxos8\\u002flRUmyPPzzz+x2NGW1+jNP4kEcwSaS88\\u002ftSIb2Tsczj8SUBFjcH\\u002fOPy9xDu8Mtc0\\u002fAd\\u002f2nE6Xzj99KGV77QXOP0Z8nEfBDs4\\u002fR4WpWYOBzz\\u002fkLIfrS8zOP9AQ6TNuts4\\u002f00LouytKzT+2F8vmlF\\u002fPP9iafepKVs4\\u002fjzdMhovSzj9opJdLhVDOP8nEaLVRLM8\\u002fWYFHsYAwzz\\u002fwzbi0QE\\u002fOPyhaM8fRAdA\\u002feF+Shx9zzz\\u002fDu4w0UdjPP4hY0xy5pc8\\u002f4DO9zJq6zj+mKItDKqDOP6ze0bfhnc4\\u002f3x8cXf\\u002f3zz\\u002fhI8sy0GfOP8MbqV6zhc0\\u002f0IOY9ZU\\u002fzD9yfFJbq13NPyRSiP2h\\u002fc4\\u002f\\u002fj8wBOfGzj9fcByDw4rNP8r3Z+Jsw84\\u002f4EpHsTMMzT\\u002fLXDNqsB3PPwMF7dKLEM4\\u002f1W46AClGzj9PEmt49OvNPw0gU5OcYM4\\u002fo2lav4DAzj\\u002fT2MFw66fNPw2L1c9gf8w\\u002fj7+56KSSzj833eAqPlbOP8fKEqxPis0\\u002fSkbIHHnjzj90MTtG1GvPP0SnFlkCZc4\\u002fTjoQgLgrzz8KcbffO8\\u002fNP7z+uAzJ7M0\\u002fYJHv+JVpzj+b+FP5DKfOPzQJZCBjVM4\\u002fva+H\\u002f6oXzj8RFlbUB9HOP0AiqB3unM4\\u002fgKRvCNpczz872psJZm3OP1HzAsLyv80\\u002fPUKPrtcZzz9URrOJb07PP1LYYXB1+M0\\u002fGXOurQzDzj\\u002f6CGYb+ljOP7ygN\\u002fItOc4\\u002fo5l\\u002fPl7Mzj+tVYKvO6vNPw334lhpLs8\\u002fGCD1jmSYzj\\u002fnrVYZsULOP0h9FWPO2c4\\u002fdthtvxxTzj+MBiXUlRzQP1+hx6H\\u002f6s0\\u002fRM9s+c01zz\\u002fwJYyQE5DOP2z6rBRvbs4\\u002fmAw+ZE1LzT8K8A\\u002fNYTLPP\\u002fh0x+\\u002fzZ84\\u002fkpEi1rZ1zj9nI+2AMzrOP7oqdlaNHM8\\u002fqqRH+oEgzT9PRSpSY4nOP8OOscRCMs8\\u002fClq5\\u002fPRnzz8kwkZFioXRPyi5i2NLudM\\u002fpWogg1n91j9RcXWdaQbbP3yRHOZTHeE\\u002fHSIN0P1\\u002f5D+cDJr9tBDqPz0ZOZg6VvA\\u002fT0UymscA8z\\u002flb2MzTzX0P42xjoHSLfM\\u002fz3\\u002f57AdB8D9axUrvvyXpP7IWvsxO+OM\\u002fUqXgzOE23z8+k+H\\u002fiKrZP7AhmpSfENY\\u002friquTDbP0z+vbweku4rRPxSeCb0um9A\\u002fvs\\u002fz7yZEzj9Dvx8eYaLPPwHSSDCrN84\\u002fXoUuV\\u002fcFzj9duAeyS9PNPwDzo3jGVM4\\u002fdG2zWJ4L0D+KHKNOU2LOP\\u002fcyyMZfSdA\\u002fiS84sNmg0D+2X9fwu2XRPxMOR6cQotI\\u002f4qKhFYZd1D88JdTJE4zWP0dZEG7yG9k\\u002fJxOxg+XZ2j8W41RuWwzcP8lHUYcrbdw\\u002f1m5yEiD73D+uYgy+W2vZP1qvi9KScdY\\u002f3GIeW8xK1D+aUxWZ46PSP2Wj3e8zK9E\\u002fh2Umed7y0D+PZ3\\u002fc6x7QP5wcf+Vql84\\u002frP+4\\u002f7JCzj9HrOpcFYnNP8aajQ1Wicw\\u002fokCmQQH2zT\\u002fF3+bpX8\\u002fNP9uzjNUuwMw\\u002fDczOsJW8zj92mLNslJ7LP2o2Y+v8Fs4\\u002fYJgAe23gzD8gLc9ebWbNP7VBgYq2gs0\\u002flZhz3+SAzj98sgIYGQjMP37GrvdCnc0\\u002fpgihw6YdzT8nontc7LfNPz8OYpuY9c0\\u002fOJYZFFx7zT\\u002flQFxrqEjNP790baCk4sw\\u002fxd6ccnaZzT9x9v8C02bNPyFWKhKFS80\\u002fRMvvZtaRzj+uQ5E14uXNP6NNG5eoqsw\\u002fFHXE+YymzT+\\u002flGwQypTNPwzqalJNn8w\\u002f0382muNPzT8tbXY+AIjNP0zp4A2zaM0\\u002fTCFRqepAzT\\u002fqPhXvCw\\u002fPP53Cru8ruc0\\u002fqm8fpv72zD\\u002fuB+VHMprNPxfUTAxWb80\\u002fRNmEJi8Xzj8CLesBlVjNP1hGLsA\\u002ff84\\u002fufwoyu\\u002f2zj91O0IOgcLNP80pJL7cG88\\u002fHDvNEFUI0D\\u002fWI5HCtSTPP7SJBSXf\\u002fc0\\u002fIM+ED02jzj\\u002fLa28lmyDPP\\u002fRM6gf3Y84\\u002fvMApgj7bzj\\u002fCywKfQuXNP7FQONd88s0\\u002fKrHV1x\\u002fLzT\\u002fpYM3PcEXMP46N+7+hH8w\\u002fhtwJVLhbzT9Mjr0+nJPNP36t9ObMZs0\\u002fi3tmLEN3zT\\u002fWW\\u002frNk4HOP4vSk05M5c0\\u002fDdSh061bzD\\u002fwKYJdOW7LP5KzoE42GM0\\u002fWOlL+hUTzD9yBbCeg2HNP36ob9MoV80\\u002fKUJzcFJXzT8ZftDE61vLP\\u002fMhgOBBx8w\\u002feKXGULTazD\\u002f1G99iYmrMP3YeF5I1osw\\u002fqWDtbLBVzj+WsQWr1SXMP5nl9mjBzcw\\u002fzhVHkH7Jyz\\u002frQbTgfDXNP\\u002fG\\u002fgEt42ss\\u002fqfWYILrzyz9v59MWgfjKP57Yq2UuJs0\\u002f2HVPQQ+9zT+7pzy8Ia\\u002fMP8JbK27mCcw\\u002fteA1l8zvyz\\u002fORSjgsTzNP2QQgAqMX8w\\u002fWK8LuDC\\u002fzD92f3DmCy\\u002fMP\\u002fO9PhRXFM0\\u002fihB98SeFzz8xiN4bn1LMP5Y3u22urcw\\u002fojhYxGDhzD9IjyPW04vMPwYl7urhHMw\\u002f9LZqZowGzT9kdn2epTHLPzkAxPKzdcs\\u002fqhl4k7F9yz+Bwb+Zbv7LPzEmdOLBPM0\\u002fHhV6CWRfzD9IhfH\\u002f9+nMP435879CeMw\\u002f62eZgazWyz96NSi3EkPMPy4ykQXobM0\\u002faYQVNLt2zD\\u002fuL1ZUA57LPyT8g3D0r8s\\u002fs1pLmWbJzD\\u002fFFM5kUVPNPzeH0pEAP80\\u002fn\\u002fvIUKgizD9dUGomVq3LP3fsscz+Vsw\\u002fZaKNz+APzz9lo\\u002fuPwxvNP5yA36iTvss\\u002fiG9JERb0zD+86lwc6gLNP\\u002fSNvgGUIcw\\u002fdyYaSD44zD8zrCUoVQXMPwomzKaIgs0\\u002fncbTxtRTzj\\u002fUyqc7QojOP94ntwXL3M8\\u002f0SmNUk0E0D9GOgs8\\u002foDQP0RZGWIw0dE\\u002fteo6lB7R0j97NQ0YFHTTP9cLbwV5kdQ\\u002f+GGXmY321z\\u002fnby41KTbaP95nzHGqrts\\u002fz0zO7N6F3T\\u002fM2xDOgXjiPxrComudzOQ\\u002f042WM6qN6j+nXy0OvQrvP1BlsMVyW\\u002fU\\u002fSjdDHVDa+z+rTVLeBxgCQGrmCjH4eQdAwjhouLtEDUBADKvhuVoRQMQoaWBxqBNARAgU0cGDFkCJcLJXs18YQA+435jeiBlAVS8VujYiG0D8CeoK20YbQKuL0wRIcBpAi8tXYakZG0CkOA1AhVMbQHeoWE96WBpADyJ3pjauGkCoyX9iCY4aQErwFvhiBRpAcZxqEe4BGUBIL3Pv+O8XQDfJOMpcwhVAeZyQDdosE0B2wccyaCwRQH0AByasqgxAbWCNMOvxBkA5yPzLEYACQBptphEzl\\u002fw\\u002fbO\\u002fNdbod9j+bQmjQXa7wP4qQ\\u002fbET9eg\\u002f2lFpl0Eg4z+tlyO+rDTgP8Szef+HW9k\\u002fb+22PoNO1T+qeX7NvU\\u002fTPz+KQ+HV+dA\\u002fURrir1KW0D9kdtLMe0HPPwXrRLGGac4\\u002fRgTxFobGzj\\u002fMmw1CMyrMP9Bhid2AWdA\\u002fpfTiRAHAzj8pO0CaDHfMP5VeeG4fm8s\\u002ffZhe5Kd0yz\\u002fSVLuEw3LMP633dt9ew8w\\u002fLTkErZDdyz9vHTX4gjLMPzwNTRM198w\\u002fxEmOd7awyz9JMKksXdjMP1IdP5mWkMs\\u002feKSLDWsgyj943MlXC0jMPwehIq7Cjsw\\u002fwpFHU0tlzD\\u002feRrHVKpzLP39Ly\\u002fe6mso\\u002f6n0Xf0zmyj8eWL9m7vbLP5Sm\\u002fvj3TMs\\u002f88cW4J0\\u002fyz9pA8aXDHfNP0rfkH\\u002fHZMo\\u002fS7DS7VXizD9F+XPurEDMPzv56Tn5Gs4\\u002f5bK1+bHAzT\\u002fPFAN9MnvNPylEczXhIM0\\u002f3N16HpHHzD+IWU47l\\u002fXLPyLLORfuqM0\\u002fiNxC2nYwyz91jNFcfrfMP\\u002fUkuGGAL80\\u002fEL5JDXz\\u002fyz\\u002f+EKGvtbTOP90m5fglpc0\\u002fy7NCCjbnzD\\u002fz+iQjkqjMPzxfD3hxXMo\\u002f7SirtRZyyz+8Er8ig4TMPzj60WmHpc4\\u002fCQkGIYkUzT9Cb\\u002fjItSDNPzMta9QsqMs\\u002ffIx5VwDByj\\u002fECiPsU6TNP0StX0+4KM4\\u002fWlcs6YDlyT8JZSp12xjMP+z3SqX1Ic4\\u002f6DGXfjMfyj8WxTe\\u002fiXbMPzyQj43d4cs\\u002fIcWC7r+dzT8PJ5BkZAfLP+84PCNIAcw\\u002f38y1hQFcyz+JJ7BVTDjMP07f6yPOxMw\\u002f6Qs4ewOqzT\\u002f23EfVdFbLP97db4FujMw\\u002f6PGrn75MzT\\u002f3sHXFQIXMP9pFGTISrso\\u002fAhLvCufJzD+69tMNjuzMPxRoPb9rg8o\\u002fK4yHPPdIzT+7O7A1mkLMP3\\u002fSdKfX6cw\\u002fb+WO7PnUyj+a8kDMmtXMP6H0e+8RAcw\\u002fn\\u002fGX0CBIzj8YiWWH\\u002fXfMPx4AkSwCXss\\u002fr6j8kBTHzz9MfMAecUDMP07gMMwxt8w\\u002fXOV6y0RLzT8uwjnRtAXMP5TGRodkoM0\\u002f4LCif9fFyz\\u002fk8QZm1\\u002fvNP14oQRIljsw\\u002fqRDJfMbkzT8hAVnQ62bMP2rEy6OArso\\u002f\\u002f2xqeAmbzD+iE1BuvyXOP1iAlHUSGMw\\u002fH0G5pCtgyz+fh7dY3kbMP\\u002frI5i6HS8w\\u002fRJuWIXB3zD8eU7WIN+nLP0\\u002f\\u002fLCJ6I8w\\u002fQZEFnbmCzT\\u002ftpbKlexzNPwMcxo54Sco\\u002fabYeyhuRzj+mTpZywTHPP+POY69kfc8\\u002f0ThzPGhg0D+0nUYo+LjPPw08wt0ZXdI\\u002f1lj774UN1D+lZYn6qorWP2Zpz8YXeNk\\u002fpwc+UPxZ3z+H718dE9PjP14KsjfOd+o\\u002fGa6FzbJ38T\\u002fSvhW2R0r1P+cU+MEM8\\u002fs\\u002f+3\\u002fha\\u002fhLAUDdcEtE4jQGQH10JpzI7QlAOxWok1EZEEB3sK8fHHoSQE6WnMAwkxRAlLBsSUC6FkBA09JUr3gYQPefaTKT2BhA51lTX1U9GkAKiqzQcOYaQD3vEm37IhtAKm5C8WuIG0B4K\\u002fHQRQ4bQFTERjL7BRxA3BEAWX\\u002fZHEDdt3XOC58cQPOZWPBQtBtAig4ZvHHCG0Cd0zwneDocQBLwmLT4LxtAEyZwO16LG0BCvOJpVk4bQKH3r6139hpAiroRiseAG0C1eP+qQEwaQMRNjOASuRlAwdMYwfzRGECudMyFUTkYQGh2r+LLPRdAt2Km0ljPFEB\\u002fl2rmEpsTQDS7+SBf0hFA51a4tPkOEEAUtjkdCdwKQP1npeMMmAhAw+jS0ieHBUA5I\\u002fA5FREBQHEB8FVfTPs\\u002f1nvi2E6z9j\\u002fI0IoD+WTyP9lteegW8+0\\u002fpL2wZLSn5z\\u002futZu06B3jP1Acq1tgZOA\\u002ff2drx3n22z85o5P32E3XP2AwgL4rR9U\\u002fr3OgJ7Gc0T8YvdQr6BHRPzN2lwCCANA\\u002fnqL4+GNszj82DdxROjTPP\\u002fA4s2L0Dc4\\u002fZDbY8ZIzzj+N3kqiOcvNPzgyY7MX2s4\\u002fL5i2VNGzzD9SDt6eW7HNP9T+Tc+gF8s\\u002foBmXTjxayz\\u002fiJdZCrCTLPyWwd0h7IMs\\u002f3zQcfQUmzD\\u002fW3p+J9WHMP+7uOulB+M0\\u002fVAAvgmK\\u002fzT9dywzdmJLLPydt86u9gM0\\u002fldhQ8qFPyz9WfmD6vivMP8eG2ZanEss\\u002fdTy3wlgzyT8QOIG0B0bNP2Ih7Kg1U8w\\u002f+qLtevHOzD8kBZdhX8TLP8oTrXXZd8s\\u002fvuKWlTWuzD8yHXPg4nLJP6XBj+Y0zMo\\u002foCvmcnxsyz8e2BYqJq\\u002fKP5fqyQi\\u002fNs0\\u002f8g82++f1zD95g3rYva7MP99kSRsCT80\\u002fb3GYnKWRzT94jMsGURfKPzUbdYyF9Mw\\u002fCCYquWmHyD+L1oEu7NnMP5MutDiLkMs\\u00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    "experiment.excluded_regions.create(id='1', start=0, end=40000)\n",
    "experiment.excluded_regions.create(id='2', start=108000, end=200000)"
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      "\u001b[1;34mExperiment 🔬 \u001b[0m\u001b[32m'mcstas'\u001b[0m\u001b[1;34m as cif\u001b[0m\n"
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       "      <th id=\"T_1921d_level0_row0\" class=\"row_heading level0 row0\" >1</th>\n",
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       "      <td id=\"T_1921d_row3_col0\" class=\"data row3 col0\" >_expt_type.beam_mode time-of-flight</td>\n",
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       "      <th id=\"T_1921d_level0_row4\" class=\"row_heading level0 row4\" >5</th>\n",
       "      <td id=\"T_1921d_row4_col0\" class=\"data row4 col0\" >_expt_type.radiation_probe neutron</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row5\" class=\"row_heading level0 row5\" >6</th>\n",
       "      <td id=\"T_1921d_row5_col0\" class=\"data row5 col0\" >_expt_type.scattering_type bragg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row6\" class=\"row_heading level0 row6\" >7</th>\n",
       "      <td id=\"T_1921d_row6_col0\" class=\"data row6 col0\" ></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row7\" class=\"row_heading level0 row7\" >8</th>\n",
       "      <td id=\"T_1921d_row7_col0\" class=\"data row7 col0\" >_diffrn.ambient_temperature ?</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row8\" class=\"row_heading level0 row8\" >9</th>\n",
       "      <td id=\"T_1921d_row8_col0\" class=\"data row8 col0\" >_diffrn.ambient_pressure ?</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row9\" class=\"row_heading level0 row9\" >10</th>\n",
       "      <td id=\"T_1921d_row9_col0\" class=\"data row9 col0\" >_diffrn.ambient_magnetic_field ?</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row10\" class=\"row_heading level0 row10\" >11</th>\n",
       "      <td id=\"T_1921d_row10_col0\" class=\"data row10 col0\" >_diffrn.ambient_electric_field ?</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row11\" class=\"row_heading level0 row11\" >12</th>\n",
       "      <td id=\"T_1921d_row11_col0\" class=\"data row11 col0\" ></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row12\" class=\"row_heading level0 row12\" >13</th>\n",
       "      <td id=\"T_1921d_row12_col0\" class=\"data row12 col0\" >_peak.rise_alpha_0 0.00000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row13\" class=\"row_heading level0 row13\" >14</th>\n",
       "      <td id=\"T_1921d_row13_col0\" class=\"data row13 col0\" >_peak.rise_alpha_1 0.00970000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row14\" class=\"row_heading level0 row14\" >15</th>\n",
       "      <td id=\"T_1921d_row14_col0\" class=\"data row14 col0\" >_peak.decay_beta_0 0.00550000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row15\" class=\"row_heading level0 row15\" >16</th>\n",
       "      <td id=\"T_1921d_row15_col0\" class=\"data row15 col0\" >_peak.decay_beta_1 0.00410000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row16\" class=\"row_heading level0 row16\" >17</th>\n",
       "      <td id=\"T_1921d_row16_col0\" class=\"data row16 col0\" >_peak.gauss_sigma_0 45137.00000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row17\" class=\"row_heading level0 row17\" >18</th>\n",
       "      <td id=\"T_1921d_row17_col0\" class=\"data row17 col0\" >_peak.gauss_sigma_1 -52394.00000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row18\" class=\"row_heading level0 row18\" >19</th>\n",
       "      <td id=\"T_1921d_row18_col0\" class=\"data row18 col0\" >_peak.gauss_sigma_2 22998.00000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row19\" class=\"row_heading level0 row19\" >20</th>\n",
       "      <td id=\"T_1921d_row19_col0\" class=\"data row19 col0\" >_peak.profile_type jorgensen</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row20\" class=\"row_heading level0 row20\" >21</th>\n",
       "      <td id=\"T_1921d_row20_col0\" class=\"data row20 col0\" ></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row21\" class=\"row_heading level0 row21\" >22</th>\n",
       "      <td id=\"T_1921d_row21_col0\" class=\"data row21 col0\" >_instr.2theta_bank 94.90931762</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row22\" class=\"row_heading level0 row22\" >23</th>\n",
       "      <td id=\"T_1921d_row22_col0\" class=\"data row22 col0\" >_instr.d_to_tof_offset 0.00000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row23\" class=\"row_heading level0 row23\" >24</th>\n",
       "      <td id=\"T_1921d_row23_col0\" class=\"data row23 col0\" >_instr.d_to_tof_linear 58724.76869981</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row24\" class=\"row_heading level0 row24\" >25</th>\n",
       "      <td id=\"T_1921d_row24_col0\" class=\"data row24 col0\" >_instr.d_to_tof_quad -0.00001000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row25\" class=\"row_heading level0 row25\" >26</th>\n",
       "      <td id=\"T_1921d_row25_col0\" class=\"data row25 col0\" >_instr.d_to_tof_recip 0.00000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row26\" class=\"row_heading level0 row26\" >27</th>\n",
       "      <td id=\"T_1921d_row26_col0\" class=\"data row26 col0\" ></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row27\" class=\"row_heading level0 row27\" >28</th>\n",
       "      <td id=\"T_1921d_row27_col0\" class=\"data row27 col0\" >loop_</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row28\" class=\"row_heading level0 row28\" >29</th>\n",
       "      <td id=\"T_1921d_row28_col0\" class=\"data row28 col0\" >_pd_phase_block.id</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row29\" class=\"row_heading level0 row29\" >30</th>\n",
       "      <td id=\"T_1921d_row29_col0\" class=\"data row29 col0\" >_pd_phase_block.scale</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row30\" class=\"row_heading level0 row30\" >31</th>\n",
       "      <td id=\"T_1921d_row30_col0\" class=\"data row30 col0\" >lbco 4.00000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row31\" class=\"row_heading level0 row31\" >32</th>\n",
       "      <td id=\"T_1921d_row31_col0\" class=\"data row31 col0\" >si 0.20000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row32\" class=\"row_heading level0 row32\" >33</th>\n",
       "      <td id=\"T_1921d_row32_col0\" class=\"data row32 col0\" ></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row33\" class=\"row_heading level0 row33\" >34</th>\n",
       "      <td id=\"T_1921d_row33_col0\" class=\"data row33 col0\" >loop_</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row34\" class=\"row_heading level0 row34\" >35</th>\n",
       "      <td id=\"T_1921d_row34_col0\" class=\"data row34 col0\" >_excluded_region.id</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row35\" class=\"row_heading level0 row35\" >36</th>\n",
       "      <td id=\"T_1921d_row35_col0\" class=\"data row35 col0\" >_excluded_region.start</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row36\" class=\"row_heading level0 row36\" >37</th>\n",
       "      <td id=\"T_1921d_row36_col0\" class=\"data row36 col0\" >_excluded_region.end</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row37\" class=\"row_heading level0 row37\" >38</th>\n",
       "      <td id=\"T_1921d_row37_col0\" class=\"data row37 col0\" >1 0.00000000 40000.00000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row38\" class=\"row_heading level0 row38\" >39</th>\n",
       "      <td id=\"T_1921d_row38_col0\" class=\"data row38 col0\" >2 108000.00000000 200000.00000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row39\" class=\"row_heading level0 row39\" >40</th>\n",
       "      <td id=\"T_1921d_row39_col0\" class=\"data row39 col0\" ></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row40\" class=\"row_heading level0 row40\" >41</th>\n",
       "      <td id=\"T_1921d_row40_col0\" class=\"data row40 col0\" >loop_</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row41\" class=\"row_heading level0 row41\" >42</th>\n",
       "      <td id=\"T_1921d_row41_col0\" class=\"data row41 col0\" >_pd_meas.time_of_flight</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row42\" class=\"row_heading level0 row42\" >43</th>\n",
       "      <td id=\"T_1921d_row42_col0\" class=\"data row42 col0\" >_pd_data.point_id</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row43\" class=\"row_heading level0 row43\" >44</th>\n",
       "      <td id=\"T_1921d_row43_col0\" class=\"data row43 col0\" >_pd_proc.d_spacing</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row44\" class=\"row_heading level0 row44\" >45</th>\n",
       "      <td id=\"T_1921d_row44_col0\" class=\"data row44 col0\" >_pd_meas.intensity_total</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row45\" class=\"row_heading level0 row45\" >46</th>\n",
       "      <td id=\"T_1921d_row45_col0\" class=\"data row45 col0\" >_pd_meas.intensity_total_su</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row46\" class=\"row_heading level0 row46\" >47</th>\n",
       "      <td id=\"T_1921d_row46_col0\" class=\"data row46 col0\" >_pd_calc.intensity_total</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row47\" class=\"row_heading level0 row47\" >48</th>\n",
       "      <td id=\"T_1921d_row47_col0\" class=\"data row47 col0\" >_pd_calc.intensity_bkg</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row48\" class=\"row_heading level0 row48\" >49</th>\n",
       "      <td id=\"T_1921d_row48_col0\" class=\"data row48 col0\" >_pd_data.refinement_status</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row49\" class=\"row_heading level0 row49\" >50</th>\n",
       "      <td id=\"T_1921d_row49_col0\" class=\"data row49 col0\" >41168.12860000 1 0.70103524 0.21537107 0.02485114 0.25454340 0.20000000 incl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row50\" class=\"row_heading level0 row50\" >51</th>\n",
       "      <td id=\"T_1921d_row50_col0\" class=\"data row50 col0\" >41273.85360000 2 0.70283531 0.26087313 0.03329888 0.33827395 0.20000000 incl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row51\" class=\"row_heading level0 row51\" >52</th>\n",
       "      <td id=\"T_1921d_row51_col0\" class=\"data row51 col0\" >41379.57850000 3 0.70463575 0.30433686 0.03547088 0.46671492 0.20000000 incl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row52\" class=\"row_heading level0 row52\" >53</th>\n",
       "      <td id=\"T_1921d_row52_col0\" class=\"data row52 col0\" >41485.30350000 4 0.70643619 0.47366708 0.04206284 0.58607007 0.20000000 incl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row53\" class=\"row_heading level0 row53\" >54</th>\n",
       "      <td id=\"T_1921d_row53_col0\" class=\"data row53 col0\" >41591.02850000 5 0.70823626 0.60026520 0.04196648 0.62332826 0.20000000 incl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row54\" class=\"row_heading level0 row54\" >55</th>\n",
       "      <td id=\"T_1921d_row54_col0\" class=\"data row54 col0\" >41696.75340000 6 0.71003669 0.60174483 0.03965186 0.55740164 0.20000000 incl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row55\" class=\"row_heading level0 row55\" >56</th>\n",
       "      <td id=\"T_1921d_row55_col0\" class=\"data row55 col0\" >41802.47840000 7 0.71183713 0.50118258 0.03810349 0.43268833 0.20000000 incl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row56\" class=\"row_heading level0 row56\" >57</th>\n",
       "      <td id=\"T_1921d_row56_col0\" class=\"data row56 col0\" >41908.20340000 8 0.71363756 0.37702264 0.03458906 0.31517711 0.20000000 incl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row57\" class=\"row_heading level0 row57\" >58</th>\n",
       "      <td id=\"T_1921d_row57_col0\" class=\"data row57 col0\" >42013.92840000 9 0.71543800 0.27533183 0.03190951 0.24565766 0.20000000 incl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row58\" class=\"row_heading level0 row58\" >59</th>\n",
       "      <td id=\"T_1921d_row58_col0\" class=\"data row58 col0\" >42119.65330000 10 0.71723844 0.26182311 0.02830043 0.22739949 0.20000000 incl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row59\" class=\"row_heading level0 row59\" >60</th>\n",
       "      <td id=\"T_1921d_row59_col0\" class=\"data row59 col0\" >...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row60\" class=\"row_heading level0 row60\" >61</th>\n",
       "      <td id=\"T_1921d_row60_col0\" class=\"data row60 col0\" >145835.84890000 991 2.48337892 0.22406860 0.01131008 0.20000000 0.20000000 excl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row61\" class=\"row_heading level0 row61\" >62</th>\n",
       "      <td id=\"T_1921d_row61_col0\" class=\"data row61 col0\" >145941.57390000 992 2.48517936 0.21377274 0.01070627 0.20000000 0.20000000 excl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row62\" class=\"row_heading level0 row62\" >63</th>\n",
       "      <td id=\"T_1921d_row62_col0\" class=\"data row62 col0\" >146047.29880000 993 2.48697943 0.20927726 0.01085520 0.20000000 0.20000000 excl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row63\" class=\"row_heading level0 row63\" >64</th>\n",
       "      <td id=\"T_1921d_row63_col0\" class=\"data row63 col0\" >146153.02380000 994 2.48877986 0.21839779 0.01091455 0.20000000 0.20000000 excl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row64\" class=\"row_heading level0 row64\" >65</th>\n",
       "      <td id=\"T_1921d_row64_col0\" class=\"data row64 col0\" >146258.74880000 995 2.49058030 0.21613293 0.01104795 0.20000000 0.20000000 excl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row65\" class=\"row_heading level0 row65\" >66</th>\n",
       "      <td id=\"T_1921d_row65_col0\" class=\"data row65 col0\" >146364.47370000 996 2.49238037 0.20571926 0.01109275 0.20000000 0.20000000 excl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row66\" class=\"row_heading level0 row66\" >67</th>\n",
       "      <td id=\"T_1921d_row66_col0\" class=\"data row66 col0\" >146470.19870000 997 2.49418081 0.22615941 0.01142946 0.20000000 0.20000000 excl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row67\" class=\"row_heading level0 row67\" >68</th>\n",
       "      <td id=\"T_1921d_row67_col0\" class=\"data row67 col0\" >146575.92370000 998 2.49598124 0.22113311 0.01151463 0.20000000 0.20000000 excl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row68\" class=\"row_heading level0 row68\" >69</th>\n",
       "      <td id=\"T_1921d_row68_col0\" class=\"data row68 col0\" >146681.64860000 999 2.49778168 0.20862390 0.01097638 0.20000000 0.20000000 excl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row69\" class=\"row_heading level0 row69\" >70</th>\n",
       "      <td id=\"T_1921d_row69_col0\" class=\"data row69 col0\" >146787.37360000 1000 2.49958175 0.20883912 0.01092893 0.20000000 0.20000000 excl</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row70\" class=\"row_heading level0 row70\" >71</th>\n",
       "      <td id=\"T_1921d_row70_col0\" class=\"data row70 col0\" ></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row71\" class=\"row_heading level0 row71\" >72</th>\n",
       "      <td id=\"T_1921d_row71_col0\" class=\"data row71 col0\" >loop_</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row72\" class=\"row_heading level0 row72\" >73</th>\n",
       "      <td id=\"T_1921d_row72_col0\" class=\"data row72 col0\" >_pd_background.id</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row73\" class=\"row_heading level0 row73\" >74</th>\n",
       "      <td id=\"T_1921d_row73_col0\" class=\"data row73 col0\" >_pd_background.line_segment_X</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row74\" class=\"row_heading level0 row74\" >75</th>\n",
       "      <td id=\"T_1921d_row74_col0\" class=\"data row74 col0\" >_pd_background.line_segment_intensity</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row75\" class=\"row_heading level0 row75\" >76</th>\n",
       "      <td id=\"T_1921d_row75_col0\" class=\"data row75 col0\" >1 45000.00000000 0.20000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row76\" class=\"row_heading level0 row76\" >77</th>\n",
       "      <td id=\"T_1921d_row76_col0\" class=\"data row76 col0\" >2 50000.00000000 0.20000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row77\" class=\"row_heading level0 row77\" >78</th>\n",
       "      <td id=\"T_1921d_row77_col0\" class=\"data row77 col0\" >3 55000.00000000 0.20000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row78\" class=\"row_heading level0 row78\" >79</th>\n",
       "      <td id=\"T_1921d_row78_col0\" class=\"data row78 col0\" >4 65000.00000000 0.20000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row79\" class=\"row_heading level0 row79\" >80</th>\n",
       "      <td id=\"T_1921d_row79_col0\" class=\"data row79 col0\" >5 70000.00000000 0.20000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_1921d_level0_row80\" class=\"row_heading level0 row80\" >81</th>\n",
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   ],
   "source": [
    "project.experiments['mcstas'].show_as_cif()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "53",
   "metadata": {},
   "source": [
    "## Perform Analysis\n",
    "\n",
    "This section outlines the analysis process, including how to configure\n",
    "calculation and fitting engines.\n",
    "\n",
    "#### Set Fitting Parameters\n",
    "\n",
    "Set structure parameters to be optimized."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 27,
   "id": "54",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:17.528733Z",
     "iopub.status.busy": "2026-04-14T15:06:17.528529Z",
     "iopub.status.idle": "2026-04-14T15:06:17.532104Z",
     "shell.execute_reply": "2026-04-14T15:06:17.531324Z"
    }
   },
   "outputs": [],
   "source": [
    "structure_1.cell.length_a.free = True\n",
    "structure_1.atom_sites['Co'].adp_iso.free = True\n",
    "structure_1.atom_sites['O'].adp_iso.free = True\n",
    "\n",
    "structure_2.cell.length_a.free = True"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "55",
   "metadata": {},
   "source": [
    "Set experiment parameters to be optimized."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 28,
   "id": "56",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:17.533715Z",
     "iopub.status.busy": "2026-04-14T15:06:17.533533Z",
     "iopub.status.idle": "2026-04-14T15:06:17.538439Z",
     "shell.execute_reply": "2026-04-14T15:06:17.537535Z"
    }
   },
   "outputs": [],
   "source": [
    "experiment.linked_phases['lbco'].scale.free = True\n",
    "experiment.linked_phases['si'].scale.free = True\n",
    "\n",
    "experiment.peak.broad_gauss_sigma_0.free = True\n",
    "experiment.peak.broad_gauss_sigma_1.free = True\n",
    "experiment.peak.broad_gauss_sigma_2.free = True\n",
    "\n",
    "experiment.peak.exp_rise_alpha_1.free = True\n",
    "experiment.peak.exp_decay_beta_0.free = True\n",
    "experiment.peak.exp_decay_beta_1.free = True\n",
    "\n",
    "for point in experiment.background:\n",
    "    point.y.free = True"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "57",
   "metadata": {},
   "source": [
    "#### Perform Fit"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 29,
   "id": "58",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:17.539904Z",
     "iopub.status.busy": "2026-04-14T15:06:17.539735Z",
     "iopub.status.idle": "2026-04-14T15:06:23.538957Z",
     "shell.execute_reply": "2026-04-14T15:06:23.538064Z"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u001b[1;34mStandard fitting\u001b[0m\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "📋 Using experiment 🔬 \u001b[32m'mcstas'\u001b[0m for \u001b[32m'single'\u001b[0m fitting\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "🚀 Starting fit process with \u001b[32m'lmfit \u001b[0m\u001b[32m(\u001b[0m\u001b[32mleastsq\u001b[0m\u001b[32m)\u001b[0m\u001b[32m'\u001b[0m\u001b[33m...\u001b[0m\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "📈 Goodness-of-fit \u001b[1m(\u001b[0mreduced χ²\u001b[1m)\u001b[0m change:\n"
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       "\n",
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       "                            }\n",
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       "                    }\n",
       "\n",
       "                    // Store result\n",
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       "                        IPython.notebook.kernel.execute('_jupyter_dark_detect_result = ' + isDark);\n",
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       "                })();\n",
       "            "
      ],
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       "                IPython.notebook.kernel.execute(\"_jupyter_dark_detect_result = \" + \n",
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       "        "
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     "metadata": {},
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    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "🏆 Best goodness-of-fit \u001b[1m(\u001b[0mreduced χ²\u001b[1m)\u001b[0m is \u001b[1;36m3.24\u001b[0m at iteration \u001b[1;36m133\u001b[0m\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "✅ Fitting complete.\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u001b[1;34mFit results\u001b[0m\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "✅ Success: \u001b[3;92mTrue\u001b[0m\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "⏱️ Fitting time: \u001b[1;36m4.51\u001b[0m seconds\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "📏 Goodness-of-fit \u001b[1m(\u001b[0mreduced χ²\u001b[1m)\u001b[0m: \u001b[1;36m3.24\u001b[0m\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "📏 R-factor \u001b[1m(\u001b[0mRf\u001b[1m)\u001b[0m: \u001b[1;36m4.76\u001b[0m%\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "📏 R-factor squared \u001b[1m(\u001b[0mRf²\u001b[1m)\u001b[0m: \u001b[1;36m5.16\u001b[0m%\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "📏 Weighted R-factor \u001b[1m(\u001b[0mwR\u001b[1m)\u001b[0m: \u001b[1;36m5.22\u001b[0m%\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "📈 Fitted parameters:\n"
     ]
    },
    {
     "data": {
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       "\n",
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       "\n",
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       "                    var themeAttr = document.body.getAttribute('data-jp-theme-name');\n",
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       "\n",
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       "                    var notebookEl = document.querySelector('.jp-Notebook') || \n",
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       "    <tr>\n",
       "      <th class=\"blank level0\" >&nbsp;</th>\n",
       "      <th id=\"T_7dc8e_level0_col0\" class=\"col_heading level0 col0\" >datablock</th>\n",
       "      <th id=\"T_7dc8e_level0_col1\" class=\"col_heading level0 col1\" >category</th>\n",
       "      <th id=\"T_7dc8e_level0_col2\" class=\"col_heading level0 col2\" >entry</th>\n",
       "      <th id=\"T_7dc8e_level0_col3\" class=\"col_heading level0 col3\" >parameter</th>\n",
       "      <th id=\"T_7dc8e_level0_col4\" class=\"col_heading level0 col4\" >start</th>\n",
       "      <th id=\"T_7dc8e_level0_col5\" class=\"col_heading level0 col5\" >fitted</th>\n",
       "      <th id=\"T_7dc8e_level0_col6\" class=\"col_heading level0 col6\" >uncertainty</th>\n",
       "      <th id=\"T_7dc8e_level0_col7\" class=\"col_heading level0 col7\" >units</th>\n",
       "      <th id=\"T_7dc8e_level0_col8\" class=\"col_heading level0 col8\" >change</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
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       "      <th id=\"T_7dc8e_level0_row0\" class=\"row_heading level0 row0\" >1</th>\n",
       "      <td id=\"T_7dc8e_row0_col0\" class=\"data row0 col0\" >lbco</td>\n",
       "      <td id=\"T_7dc8e_row0_col1\" class=\"data row0 col1\" >cell</td>\n",
       "      <td id=\"T_7dc8e_row0_col2\" class=\"data row0 col2\" ></td>\n",
       "      <td id=\"T_7dc8e_row0_col3\" class=\"data row0 col3\" >length_a</td>\n",
       "      <td id=\"T_7dc8e_row0_col4\" class=\"data row0 col4\" >3.8909</td>\n",
       "      <td id=\"T_7dc8e_row0_col5\" class=\"data row0 col5\" >3.8904</td>\n",
       "      <td id=\"T_7dc8e_row0_col6\" class=\"data row0 col6\" >0.0001</td>\n",
       "      <td id=\"T_7dc8e_row0_col7\" class=\"data row0 col7\" >Å</td>\n",
       "      <td id=\"T_7dc8e_row0_col8\" class=\"data row0 col8\" >0.01 % ↓</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row1\" class=\"row_heading level0 row1\" >2</th>\n",
       "      <td id=\"T_7dc8e_row1_col0\" class=\"data row1 col0\" >lbco</td>\n",
       "      <td id=\"T_7dc8e_row1_col1\" class=\"data row1 col1\" >atom_site</td>\n",
       "      <td id=\"T_7dc8e_row1_col2\" class=\"data row1 col2\" >Co</td>\n",
       "      <td id=\"T_7dc8e_row1_col3\" class=\"data row1 col3\" >adp_iso</td>\n",
       "      <td id=\"T_7dc8e_row1_col4\" class=\"data row1 col4\" >0.2567</td>\n",
       "      <td id=\"T_7dc8e_row1_col5\" class=\"data row1 col5\" >0.3233</td>\n",
       "      <td id=\"T_7dc8e_row1_col6\" class=\"data row1 col6\" >0.0853</td>\n",
       "      <td id=\"T_7dc8e_row1_col7\" class=\"data row1 col7\" >Ų</td>\n",
       "      <td id=\"T_7dc8e_row1_col8\" class=\"data row1 col8\" >25.94 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row2\" class=\"row_heading level0 row2\" >3</th>\n",
       "      <td id=\"T_7dc8e_row2_col0\" class=\"data row2 col0\" >lbco</td>\n",
       "      <td id=\"T_7dc8e_row2_col1\" class=\"data row2 col1\" >atom_site</td>\n",
       "      <td id=\"T_7dc8e_row2_col2\" class=\"data row2 col2\" >O</td>\n",
       "      <td id=\"T_7dc8e_row2_col3\" class=\"data row2 col3\" >adp_iso</td>\n",
       "      <td id=\"T_7dc8e_row2_col4\" class=\"data row2 col4\" >1.4041</td>\n",
       "      <td id=\"T_7dc8e_row2_col5\" class=\"data row2 col5\" >2.1686</td>\n",
       "      <td id=\"T_7dc8e_row2_col6\" class=\"data row2 col6\" >0.0282</td>\n",
       "      <td id=\"T_7dc8e_row2_col7\" class=\"data row2 col7\" >Ų</td>\n",
       "      <td id=\"T_7dc8e_row2_col8\" class=\"data row2 col8\" >54.45 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row3\" class=\"row_heading level0 row3\" >4</th>\n",
       "      <td id=\"T_7dc8e_row3_col0\" class=\"data row3 col0\" >si</td>\n",
       "      <td id=\"T_7dc8e_row3_col1\" class=\"data row3 col1\" >cell</td>\n",
       "      <td id=\"T_7dc8e_row3_col2\" class=\"data row3 col2\" ></td>\n",
       "      <td id=\"T_7dc8e_row3_col3\" class=\"data row3 col3\" >length_a</td>\n",
       "      <td id=\"T_7dc8e_row3_col4\" class=\"data row3 col4\" >5.4315</td>\n",
       "      <td id=\"T_7dc8e_row3_col5\" class=\"data row3 col5\" >5.4327</td>\n",
       "      <td id=\"T_7dc8e_row3_col6\" class=\"data row3 col6\" >0.0006</td>\n",
       "      <td id=\"T_7dc8e_row3_col7\" class=\"data row3 col7\" >Å</td>\n",
       "      <td id=\"T_7dc8e_row3_col8\" class=\"data row3 col8\" >0.02 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row4\" class=\"row_heading level0 row4\" >5</th>\n",
       "      <td id=\"T_7dc8e_row4_col0\" class=\"data row4 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row4_col1\" class=\"data row4 col1\" >linked_phases</td>\n",
       "      <td id=\"T_7dc8e_row4_col2\" class=\"data row4 col2\" >lbco</td>\n",
       "      <td id=\"T_7dc8e_row4_col3\" class=\"data row4 col3\" >scale</td>\n",
       "      <td id=\"T_7dc8e_row4_col4\" class=\"data row4 col4\" >4.0000</td>\n",
       "      <td id=\"T_7dc8e_row4_col5\" class=\"data row4 col5\" >4.5577</td>\n",
       "      <td id=\"T_7dc8e_row4_col6\" class=\"data row4 col6\" >0.0318</td>\n",
       "      <td id=\"T_7dc8e_row4_col7\" class=\"data row4 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row4_col8\" class=\"data row4 col8\" >13.94 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row5\" class=\"row_heading level0 row5\" >6</th>\n",
       "      <td id=\"T_7dc8e_row5_col0\" class=\"data row5 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row5_col1\" class=\"data row5 col1\" >linked_phases</td>\n",
       "      <td id=\"T_7dc8e_row5_col2\" class=\"data row5 col2\" >si</td>\n",
       "      <td id=\"T_7dc8e_row5_col3\" class=\"data row5 col3\" >scale</td>\n",
       "      <td id=\"T_7dc8e_row5_col4\" class=\"data row5 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row5_col5\" class=\"data row5 col5\" >0.0314</td>\n",
       "      <td id=\"T_7dc8e_row5_col6\" class=\"data row5 col6\" >0.0008</td>\n",
       "      <td id=\"T_7dc8e_row5_col7\" class=\"data row5 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row5_col8\" class=\"data row5 col8\" >84.28 % ↓</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row6\" class=\"row_heading level0 row6\" >7</th>\n",
       "      <td id=\"T_7dc8e_row6_col0\" class=\"data row6 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row6_col1\" class=\"data row6 col1\" >peak</td>\n",
       "      <td id=\"T_7dc8e_row6_col2\" class=\"data row6 col2\" ></td>\n",
       "      <td id=\"T_7dc8e_row6_col3\" class=\"data row6 col3\" >rise_alpha_1</td>\n",
       "      <td id=\"T_7dc8e_row6_col4\" class=\"data row6 col4\" >0.0097</td>\n",
       "      <td id=\"T_7dc8e_row6_col5\" class=\"data row6 col5\" >0.0097</td>\n",
       "      <td id=\"T_7dc8e_row6_col6\" class=\"data row6 col6\" >0.0002</td>\n",
       "      <td id=\"T_7dc8e_row6_col7\" class=\"data row6 col7\" >μs/Å</td>\n",
       "      <td id=\"T_7dc8e_row6_col8\" class=\"data row6 col8\" >0.40 % ↓</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row7\" class=\"row_heading level0 row7\" >8</th>\n",
       "      <td id=\"T_7dc8e_row7_col0\" class=\"data row7 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row7_col1\" class=\"data row7 col1\" >peak</td>\n",
       "      <td id=\"T_7dc8e_row7_col2\" class=\"data row7 col2\" ></td>\n",
       "      <td id=\"T_7dc8e_row7_col3\" class=\"data row7 col3\" >decay_beta_0</td>\n",
       "      <td id=\"T_7dc8e_row7_col4\" class=\"data row7 col4\" >0.0055</td>\n",
       "      <td id=\"T_7dc8e_row7_col5\" class=\"data row7 col5\" >0.0055</td>\n",
       "      <td id=\"T_7dc8e_row7_col6\" class=\"data row7 col6\" >0.0001</td>\n",
       "      <td id=\"T_7dc8e_row7_col7\" class=\"data row7 col7\" >μs</td>\n",
       "      <td id=\"T_7dc8e_row7_col8\" class=\"data row7 col8\" >0.64 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row8\" class=\"row_heading level0 row8\" >9</th>\n",
       "      <td id=\"T_7dc8e_row8_col0\" class=\"data row8 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row8_col1\" class=\"data row8 col1\" >peak</td>\n",
       "      <td id=\"T_7dc8e_row8_col2\" class=\"data row8 col2\" ></td>\n",
       "      <td id=\"T_7dc8e_row8_col3\" class=\"data row8 col3\" >decay_beta_1</td>\n",
       "      <td id=\"T_7dc8e_row8_col4\" class=\"data row8 col4\" >0.0041</td>\n",
       "      <td id=\"T_7dc8e_row8_col5\" class=\"data row8 col5\" >0.0041</td>\n",
       "      <td id=\"T_7dc8e_row8_col6\" class=\"data row8 col6\" >0.0003</td>\n",
       "      <td id=\"T_7dc8e_row8_col7\" class=\"data row8 col7\" >μs/Å</td>\n",
       "      <td id=\"T_7dc8e_row8_col8\" class=\"data row8 col8\" >0.32 % ↓</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row9\" class=\"row_heading level0 row9\" >10</th>\n",
       "      <td id=\"T_7dc8e_row9_col0\" class=\"data row9 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row9_col1\" class=\"data row9 col1\" >peak</td>\n",
       "      <td id=\"T_7dc8e_row9_col2\" class=\"data row9 col2\" ></td>\n",
       "      <td id=\"T_7dc8e_row9_col3\" class=\"data row9 col3\" >gauss_sigma_0</td>\n",
       "      <td id=\"T_7dc8e_row9_col4\" class=\"data row9 col4\" >45137.0000</td>\n",
       "      <td id=\"T_7dc8e_row9_col5\" class=\"data row9 col5\" >45210.8969</td>\n",
       "      <td id=\"T_7dc8e_row9_col6\" class=\"data row9 col6\" >2868.4651</td>\n",
       "      <td id=\"T_7dc8e_row9_col7\" class=\"data row9 col7\" >μs²</td>\n",
       "      <td id=\"T_7dc8e_row9_col8\" class=\"data row9 col8\" >0.16 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row10\" class=\"row_heading level0 row10\" >11</th>\n",
       "      <td id=\"T_7dc8e_row10_col0\" class=\"data row10 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row10_col1\" class=\"data row10 col1\" >peak</td>\n",
       "      <td id=\"T_7dc8e_row10_col2\" class=\"data row10 col2\" ></td>\n",
       "      <td id=\"T_7dc8e_row10_col3\" class=\"data row10 col3\" >gauss_sigma_1</td>\n",
       "      <td id=\"T_7dc8e_row10_col4\" class=\"data row10 col4\" >-52394.0000</td>\n",
       "      <td id=\"T_7dc8e_row10_col5\" class=\"data row10 col5\" >-52476.8991</td>\n",
       "      <td id=\"T_7dc8e_row10_col6\" class=\"data row10 col6\" >3797.9256</td>\n",
       "      <td id=\"T_7dc8e_row10_col7\" class=\"data row10 col7\" >μs/Å</td>\n",
       "      <td id=\"T_7dc8e_row10_col8\" class=\"data row10 col8\" >0.16 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row11\" class=\"row_heading level0 row11\" >12</th>\n",
       "      <td id=\"T_7dc8e_row11_col0\" class=\"data row11 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row11_col1\" class=\"data row11 col1\" >peak</td>\n",
       "      <td id=\"T_7dc8e_row11_col2\" class=\"data row11 col2\" ></td>\n",
       "      <td id=\"T_7dc8e_row11_col3\" class=\"data row11 col3\" >gauss_sigma_2</td>\n",
       "      <td id=\"T_7dc8e_row11_col4\" class=\"data row11 col4\" >22998.0000</td>\n",
       "      <td id=\"T_7dc8e_row11_col5\" class=\"data row11 col5\" >23014.3392</td>\n",
       "      <td id=\"T_7dc8e_row11_col6\" class=\"data row11 col6\" >1193.4306</td>\n",
       "      <td id=\"T_7dc8e_row11_col7\" class=\"data row11 col7\" >μs²/Ų</td>\n",
       "      <td id=\"T_7dc8e_row11_col8\" class=\"data row11 col8\" >0.07 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row12\" class=\"row_heading level0 row12\" >13</th>\n",
       "      <td id=\"T_7dc8e_row12_col0\" class=\"data row12 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row12_col1\" class=\"data row12 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row12_col2\" class=\"data row12 col2\" >1</td>\n",
       "      <td id=\"T_7dc8e_row12_col3\" class=\"data row12 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row12_col4\" class=\"data row12 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row12_col5\" class=\"data row12 col5\" >0.2502</td>\n",
       "      <td id=\"T_7dc8e_row12_col6\" class=\"data row12 col6\" >0.0082</td>\n",
       "      <td id=\"T_7dc8e_row12_col7\" class=\"data row12 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row12_col8\" class=\"data row12 col8\" >25.09 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row13\" class=\"row_heading level0 row13\" >14</th>\n",
       "      <td id=\"T_7dc8e_row13_col0\" class=\"data row13 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row13_col1\" class=\"data row13 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row13_col2\" class=\"data row13 col2\" >2</td>\n",
       "      <td id=\"T_7dc8e_row13_col3\" class=\"data row13 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row13_col4\" class=\"data row13 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row13_col5\" class=\"data row13 col5\" >0.2498</td>\n",
       "      <td id=\"T_7dc8e_row13_col6\" class=\"data row13 col6\" >0.0080</td>\n",
       "      <td id=\"T_7dc8e_row13_col7\" class=\"data row13 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row13_col8\" class=\"data row13 col8\" >24.91 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row14\" class=\"row_heading level0 row14\" >15</th>\n",
       "      <td id=\"T_7dc8e_row14_col0\" class=\"data row14 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row14_col1\" class=\"data row14 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row14_col2\" class=\"data row14 col2\" >3</td>\n",
       "      <td id=\"T_7dc8e_row14_col3\" class=\"data row14 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row14_col4\" class=\"data row14 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row14_col5\" class=\"data row14 col5\" >0.2674</td>\n",
       "      <td id=\"T_7dc8e_row14_col6\" class=\"data row14 col6\" >0.0047</td>\n",
       "      <td id=\"T_7dc8e_row14_col7\" class=\"data row14 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row14_col8\" class=\"data row14 col8\" >33.68 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row15\" class=\"row_heading level0 row15\" >16</th>\n",
       "      <td id=\"T_7dc8e_row15_col0\" class=\"data row15 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row15_col1\" class=\"data row15 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row15_col2\" class=\"data row15 col2\" >4</td>\n",
       "      <td id=\"T_7dc8e_row15_col3\" class=\"data row15 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row15_col4\" class=\"data row15 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row15_col5\" class=\"data row15 col5\" >0.2551</td>\n",
       "      <td id=\"T_7dc8e_row15_col6\" class=\"data row15 col6\" >0.0036</td>\n",
       "      <td id=\"T_7dc8e_row15_col7\" class=\"data row15 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row15_col8\" class=\"data row15 col8\" >27.53 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row16\" class=\"row_heading level0 row16\" >17</th>\n",
       "      <td id=\"T_7dc8e_row16_col0\" class=\"data row16 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row16_col1\" class=\"data row16 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row16_col2\" class=\"data row16 col2\" >5</td>\n",
       "      <td id=\"T_7dc8e_row16_col3\" class=\"data row16 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row16_col4\" class=\"data row16 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row16_col5\" class=\"data row16 col5\" >0.2463</td>\n",
       "      <td id=\"T_7dc8e_row16_col6\" class=\"data row16 col6\" >0.0035</td>\n",
       "      <td id=\"T_7dc8e_row16_col7\" class=\"data row16 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row16_col8\" class=\"data row16 col8\" >23.17 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row17\" class=\"row_heading level0 row17\" >18</th>\n",
       "      <td id=\"T_7dc8e_row17_col0\" class=\"data row17 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row17_col1\" class=\"data row17 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row17_col2\" class=\"data row17 col2\" >6</td>\n",
       "      <td id=\"T_7dc8e_row17_col3\" class=\"data row17 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row17_col4\" class=\"data row17 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row17_col5\" class=\"data row17 col5\" >0.2417</td>\n",
       "      <td id=\"T_7dc8e_row17_col6\" class=\"data row17 col6\" >0.0027</td>\n",
       "      <td id=\"T_7dc8e_row17_col7\" class=\"data row17 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row17_col8\" class=\"data row17 col8\" >20.86 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row18\" class=\"row_heading level0 row18\" >19</th>\n",
       "      <td id=\"T_7dc8e_row18_col0\" class=\"data row18 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row18_col1\" class=\"data row18 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row18_col2\" class=\"data row18 col2\" >7</td>\n",
       "      <td id=\"T_7dc8e_row18_col3\" class=\"data row18 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row18_col4\" class=\"data row18 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row18_col5\" class=\"data row18 col5\" >0.2421</td>\n",
       "      <td id=\"T_7dc8e_row18_col6\" class=\"data row18 col6\" >0.0033</td>\n",
       "      <td id=\"T_7dc8e_row18_col7\" class=\"data row18 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row18_col8\" class=\"data row18 col8\" >21.07 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row19\" class=\"row_heading level0 row19\" >20</th>\n",
       "      <td id=\"T_7dc8e_row19_col0\" class=\"data row19 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row19_col1\" class=\"data row19 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row19_col2\" class=\"data row19 col2\" >8</td>\n",
       "      <td id=\"T_7dc8e_row19_col3\" class=\"data row19 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row19_col4\" class=\"data row19 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row19_col5\" class=\"data row19 col5\" >0.2374</td>\n",
       "      <td id=\"T_7dc8e_row19_col6\" class=\"data row19 col6\" >0.0021</td>\n",
       "      <td id=\"T_7dc8e_row19_col7\" class=\"data row19 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row19_col8\" class=\"data row19 col8\" >18.71 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row20\" class=\"row_heading level0 row20\" >21</th>\n",
       "      <td id=\"T_7dc8e_row20_col0\" class=\"data row20 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row20_col1\" class=\"data row20 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row20_col2\" class=\"data row20 col2\" >9</td>\n",
       "      <td id=\"T_7dc8e_row20_col3\" class=\"data row20 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row20_col4\" class=\"data row20 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row20_col5\" class=\"data row20 col5\" >0.2381</td>\n",
       "      <td id=\"T_7dc8e_row20_col6\" class=\"data row20 col6\" >0.0020</td>\n",
       "      <td id=\"T_7dc8e_row20_col7\" class=\"data row20 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row20_col8\" class=\"data row20 col8\" >19.07 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row21\" class=\"row_heading level0 row21\" >22</th>\n",
       "      <td id=\"T_7dc8e_row21_col0\" class=\"data row21 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row21_col1\" class=\"data row21 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row21_col2\" class=\"data row21 col2\" >10</td>\n",
       "      <td id=\"T_7dc8e_row21_col3\" class=\"data row21 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row21_col4\" class=\"data row21 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row21_col5\" class=\"data row21 col5\" >0.2423</td>\n",
       "      <td id=\"T_7dc8e_row21_col6\" class=\"data row21 col6\" >0.0025</td>\n",
       "      <td id=\"T_7dc8e_row21_col7\" class=\"data row21 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row21_col8\" class=\"data row21 col8\" >21.14 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row22\" class=\"row_heading level0 row22\" >23</th>\n",
       "      <td id=\"T_7dc8e_row22_col0\" class=\"data row22 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row22_col1\" class=\"data row22 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row22_col2\" class=\"data row22 col2\" >11</td>\n",
       "      <td id=\"T_7dc8e_row22_col3\" class=\"data row22 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row22_col4\" class=\"data row22 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row22_col5\" class=\"data row22 col5\" >0.2258</td>\n",
       "      <td id=\"T_7dc8e_row22_col6\" class=\"data row22 col6\" >0.0022</td>\n",
       "      <td id=\"T_7dc8e_row22_col7\" class=\"data row22 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row22_col8\" class=\"data row22 col8\" >12.88 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row23\" class=\"row_heading level0 row23\" >24</th>\n",
       "      <td id=\"T_7dc8e_row23_col0\" class=\"data row23 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row23_col1\" class=\"data row23 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row23_col2\" class=\"data row23 col2\" >12</td>\n",
       "      <td id=\"T_7dc8e_row23_col3\" class=\"data row23 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row23_col4\" class=\"data row23 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row23_col5\" class=\"data row23 col5\" >0.2228</td>\n",
       "      <td id=\"T_7dc8e_row23_col6\" class=\"data row23 col6\" >0.0026</td>\n",
       "      <td id=\"T_7dc8e_row23_col7\" class=\"data row23 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row23_col8\" class=\"data row23 col8\" >11.40 % ↑</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th id=\"T_7dc8e_level0_row24\" class=\"row_heading level0 row24\" >25</th>\n",
       "      <td id=\"T_7dc8e_row24_col0\" class=\"data row24 col0\" >mcstas</td>\n",
       "      <td id=\"T_7dc8e_row24_col1\" class=\"data row24 col1\" >background</td>\n",
       "      <td id=\"T_7dc8e_row24_col2\" class=\"data row24 col2\" >13</td>\n",
       "      <td id=\"T_7dc8e_row24_col3\" class=\"data row24 col3\" >y</td>\n",
       "      <td id=\"T_7dc8e_row24_col4\" class=\"data row24 col4\" >0.2000</td>\n",
       "      <td id=\"T_7dc8e_row24_col5\" class=\"data row24 col5\" >0.2225</td>\n",
       "      <td id=\"T_7dc8e_row24_col6\" class=\"data row24 col6\" >0.0078</td>\n",
       "      <td id=\"T_7dc8e_row24_col7\" class=\"data row24 col7\" ></td>\n",
       "      <td id=\"T_7dc8e_row24_col8\" class=\"data row24 col8\" >11.23 % ↑</td>\n",
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      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "project.analysis.fit()\n",
    "project.analysis.display.fit_results()\n",
    "project.plotter.plot_param_correlations()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "59",
   "metadata": {},
   "source": [
    "#### Plot Measured vs Calculated"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "id": "60",
   "metadata": {
    "execution": {
     "iopub.execute_input": "2026-04-14T15:06:23.540893Z",
     "iopub.status.busy": "2026-04-14T15:06:23.540698Z",
     "iopub.status.idle": "2026-04-14T15:06:23.570849Z",
     "shell.execute_reply": "2026-04-14T15:06:23.569915Z"
    }
   },
   "outputs": [
    {
     "data": {
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