Data quality metrics extracted from 7hud.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "4c179e1f950718f46a46c3ebd0bf3b54",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.55,
    "b": 52.81,
    "c": 44.69,
    "alpha": 90.00,
    "beta": 102.65,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.64,1.61],
    "number_observations": 188237,
    "number_observations_unique": 33149,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "R(meas)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 12.16
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.71,1.61],
      "number_observations": 30990,
      "number_observations_unique": 5294,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.768
        },
        {
          "type": "R(meas)",
          "value": 1.9409999999999998
        },
        {
          "type": "I/SigI",
          "value": 0.90
        },
        {
          "type": "CC(1/2)",
          "value": 0.363
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.71],
      "number_observations": 28952,
      "number_observations_unique": 5012,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.079
        },
        {
          "type": "R(meas)",
          "value": 1.187
        },
        {
          "type": "I/SigI",
          "value": 1.49
        },
        {
          "type": "CC(1/2)",
          "value": 0.618
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.83],
      "number_observations": 25804,
      "number_observations_unique": 4656,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5710000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.63
        },
        {
          "type": "I/SigI",
          "value": 2.83
        },
        {
          "type": "CC(1/2)",
          "value": 0.851
        }
      ]
    },
    {
      "resolution_limits": [2.16,1.97],
      "number_observations": 22563,
      "number_observations_unique": 4339,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.297
        },
        {
          "type": "R(meas)",
          "value": 0.33
        },
        {
          "type": "I/SigI",
          "value": 5.23
        },
        {
          "type": "CC(1/2)",
          "value": 0.9359999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.41,2.16],
      "number_observations": 23252,
      "number_observations_unique": 3883,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18100000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.198
        },
        {
          "type": "I/SigI",
          "value": 9.42
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [2.79,2.41],
      "number_observations": 20452,
      "number_observations_unique": 3473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "R(meas)",
          "value": 0.121
        },
        {
          "type": "I/SigI",
          "value": 15.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.41,2.79],
      "number_observations": 16286,
      "number_observations_unique": 2924,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 27.45
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.81,3.41],
      "number_observations": 12078,
      "number_observations_unique": 2270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027000000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 48.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [47.64,4.81],
      "number_observations": 7860,
      "number_observations_unique": 1298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.027999999999999997
        },
        {
          "type": "I/SigI",
          "value": 59.17
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):