meta-configurator/documentation_user/examples/rdf/samples/mof-data.json at 6109b694448b8e8f97e8be0d2d9b94bceb049ad1 · MetaConfigurator/meta-configurator · GitHub

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{
  "Synthesis": [
    {
      "Hardware": { "Component": [{ "_id": "S-1", "_type": "glass vial" }] },
      "Metadata": { "_description": "S-1", "_product": "MIL-88B (Fe)" },
      "Procedure": {
        "Prep": {
          "Step": [
            { "_vessel": "S-1", "$xml_type": "Add", "_amount": { "Unit": "MilliMOL", "Value": 0.4, "$xml_append": "${Value} ${Unit}" }, "_reagent": "FeCl3", "_order": 0 },
            { "_vessel": "S-1", "$xml_type": "Add", "_amount": { "Unit": "MilliMOL", "Value": 0.4, "$xml_append": "${Value} ${Unit}" }, "_reagent": "Benzene-1,4-dicarboxylic acid", "_order": 1 },
            { "_vessel": "S-1", "$xml_type": "Add", "_amount": { "Unit": "MilliL", "Value": 4, "$xml_append": "${Value} ${Unit}" }, "_reagent": "DMF", "_order": 2 }
          ]
        },
        "Reaction": {
          "Step": [
            { "_vessel": "S-1", "$xml_type": "Sonicate", "_time": { "Value": 30.0, "Unit": "MIN", "$xml_append": "${Value} ${Unit}" }, "_order": 0 },
            { "_comment": "In: oven", "_vessel": "S-1", "$xml_type": "HeatChill", "_temp": { "Unit": "DEG_C", "Value": 120.0, "$xml_append": "${Value} ${Unit}" }, "_time": { "Value": 1, "Unit":"DAY", "$xml_append": "${Value} ${Unit}" }, "_order": 1 }
          ]
        },
        "Workup": {
          "Step": [
            { "_vessel": "S-1", "$xml_type": "WashSolid", "_solvent": "EtOH", "_order": 0 },
            { "_vessel": "S-1", "$xml_type": "Dry", "_temp": { "Unit": "DEG_C", "Value": 120.0, "$xml_append": "${Value} ${Unit}" }, "_time": { "Value": 1, "Unit":"DAY", "$xml_append": "${Value} ${Unit}" }, "_pressure": { "Unit": "PA", "Value": 0, "$xml_append": "${Value} ${Unit}" }, "_order": 1 }
          ]
        }
      },
      "Reagents": {
        "Reagent": [
          { "_id": "FeCl3", "_name": "FeCl3", "_role": "substrate" },
          { "_id": "Benzene-1%252C4-dicarboxylic%2520acid", "_name": "Benzene-1,4-dicarboxylic acid", "_role": "ligand" },
          { "_id": "DMF", "_name": "DMF", "_role": "solvent" },
          { "_id": "EtOH", "_name": "EtOH", "_role": "solvent" }
        ]
      }
    },
    {
      "Hardware": { "Component": [{ "_id": "S-2", "_type": "glass vial" }] },
      "Metadata": { "_description": "S-2", "_product": "MIL-88B+MIL101 (mix phases)" },
      "Procedure": {
        "Prep": {
          "Step": [
            { "_vessel": "S-2", "$xml_type": "Add", "_amount": { "Unit": "MilliMOL", "Value": 0.4, "$xml_append": "${Value} ${Unit}" }, "_reagent": "FeCl3·6H2O", "_order": 0 },
            { "_vessel": "S-2", "$xml_type": "Add", "_amount": { "Unit": "MilliMOL", "Value": 0.4, "$xml_append": "${Value} ${Unit}" }, "_reagent": "Benzene-1,4-dicarboxylic acid", "_order": 1 },
            { "_vessel": "S-2", "$xml_type": "Add", "_amount": { "Unit": "MilliL", "Value": 4, "$xml_append": "${Value} ${Unit}" }, "_reagent": "DMF", "_order": 2 }
          ]
        },
        "Reaction": {
          "Step": [
            { "_vessel": "S-2", "$xml_type": "Sonicate", "_time": { "Value": 30.0, "Unit": "MIN", "$xml_append": "${Value} ${Unit}" }, "_order": 0 },
            { "_comment": "In: oven", "_vessel": "S-2", "$xml_type": "HeatChill", "_temp": { "Unit": "DEG_C", "Value": 120.0, "$xml_append": "${Value} ${Unit}" }, "_time": { "Value": 1, "Unit":"DAY", "$xml_append": "${Value} ${Unit}" }, "_order": 1 }
          ]
        },
        "Workup": {
          "Step": [
            { "_vessel": "S-2", "$xml_type": "WashSolid", "_solvent": "EtOH", "_order": 0 },
            { "_vessel": "S-2", "$xml_type": "Dry", "_temp": { "Unit": "DEG_C", "Value": 120.0, "$xml_append": "${Value} ${Unit}" }, "_time": { "Value": 1, "Unit":"DAY", "$xml_append": "${Value} ${Unit}" }, "_pressure": { "Unit": "PA", "Value": 0, "$xml_append": "${Value} ${Unit}" }, "_order": 1 }
          ]
        }
      },
      "Reagents": {
        "Reagent": [
          { "_id": "FeCl3%25C2%25B76H2O", "_name": "FeCl3·6H2O", "_role": "substrate" },
          { "_id": "Benzene-1%252C4-dicarboxylic%2520acid", "_name": "Benzene-1,4-dicarboxylic acid", "_role": "ligand" },
          { "_id": "DMF", "_name": "DMF", "_role": "solvent" },
          { "_id": "EtOH", "_name": "EtOH", "_role": "solvent" }
        ]
      }
    }
  ]
}