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

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "5285150de30fde7a490efc1b8e1477bc",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 60.56,
    "b": 60.56,
    "c": 215.50,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.30,1.83],
    "number_observations": 405996,
    "number_observations_unique": 36434,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.111
      },
      {
        "type": "R(meas)",
        "value": 0.11599999999999999
      },
      {
        "type": "I/SigI",
        "value": 14.29
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.94,1.83],
      "number_observations": 64175,
      "number_observations_unique": 5717,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.6340000000000001
        },
        {
          "type": "R(meas)",
          "value": 1.712
        },
        {
          "type": "I/SigI",
          "value": 1.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.617
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.94],
      "number_observations": 61223,
      "number_observations_unique": 5423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9179999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.9620000000000001
        },
        {
          "type": "I/SigI",
          "value": 2.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.847
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.08],
      "number_observations": 54302,
      "number_observations_unique": 5093,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "R(meas)",
          "value": 0.5529999999999999
        },
        {
          "type": "I/SigI",
          "value": 4.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.9359999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.24],
      "number_observations": 56226,
      "number_observations_unique": 4685,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.345
        },
        {
          "type": "R(meas)",
          "value": 0.361
        },
        {
          "type": "I/SigI",
          "value": 7.36
        },
        {
          "type": "CC(1/2)",
          "value": 0.9790000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.45],
      "number_observations": 50252,
      "number_observations_unique": 4272,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "R(meas)",
          "value": 0.23600000000000002
        },
        {
          "type": "I/SigI",
          "value": 10.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.17,2.74],
      "number_observations": 40262,
      "number_observations_unique": 3817,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 18.81
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.87,3.17],
      "number_observations": 36701,
      "number_observations_unique": 3264,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 34.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [5.46,3.87],
      "number_observations": 27502,
      "number_observations_unique": 2595,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044000000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 49.89
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [46.30,5.46],
      "number_observations": 15353,
      "number_observations_unique": 1568,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.037000000000000005
        },
        {
          "type": "I/SigI",
          "value": 50.01
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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