thermodynamic_data.json

{
  "$schema": "http://json-schema.org/draft-07/schema#",
  "$id": "https://raw.githubusercontent.com/biofold/protein-thermodynamic-dataset-model/master/thermodynamic_data.json",
  "title": "Thermodynamic Data Schema",
  "type": "object",
  "properties": {
    "context": { "type": "string", "const": "https://schema.org" },
    "type": { "type": "string", "const": "ThermodynamicData" },
    "reversibility": {
      "type": "string",
      "description": "Reversibility of the unfolding process."
    },
    "unfoldingPercentage": {
      "type": "number",
      "description": "Percentage of protein unfolded"
    },
    "Tm": {
      "type": "number",
      "description": "Melting temperature of the variant in degrees Celsius"
    },
    "dG_H2O": {
      "type": "number",
      "description": "Change in unfolding free energy in water"
    },
    "ddG_H2O": {
      "type": "number",
      "description": "Variation of change in unfolding free energy in water"
    },
    "m": {
      "type": "number",
      "description": "Slope of the denaturation curve"
    },
    "Cm": {
      "type": "number",
      "description": "Midpoint of denaturation"
    },
    "dTm": {
      "type": "number",
      "description": "Change in melting temperature"
    },
    "dG": {
      "type": "number",
      "description": "Change in free energy"
    },
    "ddG": {
      "type": "number",
      "description": "Change in change in free energy"
    },
    "dH": {
      "type": "number",
      "description": "Change in enthalpy"
    },
    "dHvH": {
      "type": "number",
      "description": "Change in van't Hoff enthalpy"
    },
    "dCp": {
      "type": "number",
      "description": "Change in heat capacity"
    },
    "fittingModel": {
      "type": "string",
      "description": "Model used for fitting the data to determine dG (e.g., two-state model, three-state model)"
    },
    "experiment": {
      "$ref": "thermodynamic_experiment.json",
      "description": "Experimental data"
    },
    "otherMeasures": {
      "type": "string",
      "description": "Other user-defined thermodynamic measures"
    }
  },
  "required": ["context", "type", "experiment"],
  "anyOf": [
    { "required": ["Tm"] },
    { "required": ["dG_H2O"] },
    { "required": ["ddG_H2O"] },
    { "required": ["dG"] },
    { "required": ["ddG"] }
  ]
}