{
  "id": "paper_xrd_fcc",
  "title": "理想立方晶格衍射",
  "domain": "general",
  "type": "demo",
  "license": "MIT",
  "scope": "Paper-informed original analytic teaching model; no copied points or figure.",
  "data_status": "synthetic_demo",
  "not_experimental_data": true,
  "source_files": [
    "data.csv",
    "model.json"
  ],
  "test_conditions": "Declared analytic parameters in scientific_basis.parameters; no experimental cell or material is assigned.",
  "variables_and_units": {
    "1": [
      "2θ (°)",
      "Intensity (a.u.)"
    ],
    "2": [
      "Lattice constant (nm)",
      "(111) peak 2θ (°)"
    ]
  },
  "creator": "VoltPeer",
  "generator_version": "1.0.0",
  "reproduce": "python render_existing.py --output new-result-folder",
  "scientific_basis": {
    "schema_version": 1,
    "model_class": "analytic_model",
    "data_origin": "original_synthetic",
    "equations": [
      "d(hkl)=a/sqrt(h²+k²+l²); 2d sinθ=λ",
      "Allowed FCC reflections have all-even or all-odd h,k,l"
    ],
    "assumptions": [
      "Original explicitly idealised model; parameters are illustrative and do not describe the referenced experiment."
    ],
    "parameters": {
      "a0_nm": 0.55,
      "lambda_nm": 0.154,
      "hkl": [
        [
          1,
          1,
          1
        ],
        [
          2,
          0,
          0
        ],
        [
          2,
          2,
          0
        ]
      ],
      "relative_amplitudes": [
        1,
        0.62,
        0.42
      ],
      "sigma_2theta_deg": 0.24
    },
    "references": [
      {
        "title": "On the nanoscale structural evolution of solid discharge products in lithium-sulfur batteries using operando scattering",
        "doi": "10.1038/s41467-022-33931-4",
        "url": "https://www.nature.com/articles/s41467-022-33931-4",
        "figure_panel": "Figure 2e–g; Methods: Scherrer crystallite size",
        "supports": "Peak evolution / peak-width analysis; instrument and strain contributions must be distinguished.",
        "checked_at": "2026-10-02",
        "scope": "Publisher caption / equation / measurement caveat checked. Original analytic teaching inputs; no paper points, images or material inference copied.",
        "support_level": "plot form / caption",
        "formula_scope": "The listed equations are declared teaching assumptions. A plot-form reference does not independently verify every analytic line shape, parameter or inference."
      }
    ],
    "limitations": [
      "Hypothetical cubic lattice: a0 is not assigned to Li₂S, Cu or any material. Relative intensities are illustrative, not atomic scattering calculations. Process coordinate is not measured SOC/time."
    ],
    "validation_scope": "Analytic consistency / dimensional accounting / original synthetic redraw only. Not validation of an actual material or author-supplied measurement."
  },
  "reference": {
    "doi": "10.1038/s41467-022-33931-4",
    "figure_panel": "Figure 2e–g; Methods: Scherrer crystallite size",
    "observation": "Peak evolution / peak-width analysis; instrument and strain contributions must be distinguished.",
    "review_scope": "Publisher caption / equation / measurement caveat checked. Original analytic teaching inputs; no paper points, images or material inference copied.",
    "default_template": false
  },
  "review": {
    "science": "Analytic consistency and units checked; no material validation.",
    "display": "Actual artist, frame and text-bound checks; inspect exported figure at final size."
  },
  "actual_artist_checks": [
    {
      "panel_index": 0,
      "spines": {
        "left": true,
        "right": true,
        "top": true,
        "bottom": true
      },
      "continuous_curves": [
        {
          "label": "a = 0.5500 nm",
          "linestyle": "-",
          "marker": "None",
          "points": 1301
        }
      ]
    },
    {
      "panel_index": 1,
      "spines": {
        "left": true,
        "right": true,
        "top": true,
        "bottom": true
      },
      "continuous_curves": [
        {
          "label": "(111)",
          "linestyle": "-",
          "marker": "None",
          "points": 100
        }
      ]
    }
  ],
  "data_frame_checks": [
    {
      "panel_index": 0,
      "spines": {
        "left": true,
        "right": true,
        "top": true,
        "bottom": true
      },
      "continuous_curves": [
        {
          "label": "a = 0.5500 nm",
          "linestyle": "-",
          "marker": "None",
          "points": 1301
        }
      ]
    },
    {
      "panel_index": 1,
      "spines": {
        "left": true,
        "right": true,
        "top": true,
        "bottom": true
      },
      "continuous_curves": [
        {
          "label": "(111)",
          "linestyle": "-",
          "marker": "None",
          "points": 100
        }
      ]
    }
  ],
  "continuous_curve_style_checks": [
    {
      "panel_index": 0,
      "label": "a = 0.5500 nm",
      "points": 1301,
      "line_style": "-",
      "marker": "None",
      "colour": "#287d8e"
    },
    {
      "panel_index": 1,
      "label": "(111)",
      "points": 100,
      "line_style": "-",
      "marker": "None",
      "colour": "#287d8e"
    }
  ],
  "curve_style_check": "Actual matplotlib artists checked: solid, unmarked continuous traces.",
  "data_frame_check": "All four spines visible on every data axis."
}