Data quality metrics extracted from 7iay.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": "6d27c3ef5c1c4b18bca43b58585f492a",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 60.51,
    "b": 60.51,
    "c": 215.67,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.29,1.57],
    "number_observations": 630865,
    "number_observations_unique": 57290,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.16899999999999998
      },
      {
        "type": "R(meas)",
        "value": 0.17800000000000002
      },
      {
        "type": "I/SigI",
        "value": 9.12
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.57],
      "number_observations": 98905,
      "number_observations_unique": 9076,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.245
        },
        {
          "type": "R(meas)",
          "value": 1.306
        },
        {
          "type": "I/SigI",
          "value": 1.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.361
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.66],
      "number_observations": 96460,
      "number_observations_unique": 8599,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.768
        },
        {
          "type": "R(meas)",
          "value": 0.805
        },
        {
          "type": "I/SigI",
          "value": 2.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.643
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.78],
      "number_observations": 86886,
      "number_observations_unique": 7938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.475
        },
        {
          "type": "R(meas)",
          "value": 0.499
        },
        {
          "type": "I/SigI",
          "value": 3.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.8290000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.1,1.92],
      "number_observations": 84093,
      "number_observations_unique": 7396,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.307
        },
        {
          "type": "R(meas)",
          "value": 0.322
        },
        {
          "type": "I/SigI",
          "value": 6.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.9229999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.10],
      "number_observations": 79556,
      "number_observations_unique": 6724,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.22399999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.23399999999999999
        },
        {
          "type": "I/SigI",
          "value": 10.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.35],
      "number_observations": 65706,
      "number_observations_unique": 5970,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "R(meas)",
          "value": 0.18899999999999997
        },
        {
          "type": "I/SigI",
          "value": 13.67
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
        }
      ]
    },
    {
      "resolution_limits": [3.32,2.71],
      "number_observations": 54479,
      "number_observations_unique": 5118,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.128
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 20.06
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [4.69,3.32],
      "number_observations": 41802,
      "number_observations_unique": 4054,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "R(meas)",
          "value": 0.113
        },
        {
          "type": "I/SigI",
          "value": 24.27
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [46.29,4.69],
      "number_observations": 22978,
      "number_observations_unique": 2415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09300000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 23.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    }
  ]

}
  

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


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