{
  "$schema": "https://json-schema.org/draft/2020-12/schema",
  "$id": "https://artifacts.apis.io/chemaxon/json-schema/chemaxon-calculators-structure-request-pka-request-schema.json",
  "title": "CalculatorsStructureRequestPkaRequest",
  "description": "Json structure that contains the structure and the needed parameters.",
  "x-generated": "2026-11-03",
  "x-method": "derived",
  "x-generator": "derive-json-schema.py",
  "x-source": "openapi/chemaxon-calculations-openapi.yml#/components/schemas/CalculatorsStructureRequestPkaRequest",
  "properties": {
    "inputFormat": {
      "type": "string",
      "description": "the input format and options"
    },
    "micro": {
      "type": "boolean",
      "default": false,
      "description": "Sets micro pKa calculation."
    },
    "outputFormat": {
      "type": "string",
      "default": "mrv",
      "description": "The output format and options."
    },
    "outputStructureIncluded": {
      "type": "boolean",
      "default": false
    },
    "pKaLowerLimit": {
      "type": "number",
      "format": "double",
      "default": -20.0
    },
    "pKaUpperLimit": {
      "type": "number",
      "format": "double",
      "default": 10.0
    },
    "prefix": {
      "type": "string",
      "default": "DYNAMIC",
      "enum": [
        "STATIC",
        "DYNAMIC"
      ]
    },
    "structure": {
      "type": "string",
      "description": "the molecule string"
    },
    "temperature": {
      "type": "number",
      "format": "double",
      "default": 298.0
    },
    "types": {
      "type": "string",
      "description": "Comma-separated list of results to calculated. Possible values: pKa, acidic, basic. Default: pKa"
    }
  },
  "required": [
    "structure"
  ]
}