Data quality metrics extracted from 7iez.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": "b48915d9a2eb8550f20fb2ea3401e818",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.19,
    "b": 72.97,
    "c": 52.49,
    "alpha": 90.00,
    "beta": 109.27,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.66,1.12],
    "number_observations": 400985,
    "number_observations_unique": 121321,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "R(meas)",
        "value": 0.088
      },
      {
        "type": "I/SigI",
        "value": 8.61
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.18,1.12],
      "number_observations": 58290,
      "number_observations_unique": 18921,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.309
        },
        {
          "type": "R(meas)",
          "value": 1.586
        },
        {
          "type": "I/SigI",
          "value": 0.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.356
        }
      ]
    },
    {
      "resolution_limits": [1.27,1.18],
      "number_observations": 60093,
      "number_observations_unique": 18472,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.951
        },
        {
          "type": "R(meas)",
          "value": 1.142
        },
        {
          "type": "I/SigI",
          "value": 1.12
        },
        {
          "type": "CC(1/2)",
          "value": 0.51
        }
      ]
    },
    {
      "resolution_limits": [1.37,1.27],
      "number_observations": 56287,
      "number_observations_unique": 17169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.636
        },
        {
          "type": "R(meas)",
          "value": 0.761
        },
        {
          "type": "I/SigI",
          "value": 1.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.702
        }
      ]
    },
    {
      "resolution_limits": [1.5,1.37],
      "number_observations": 54781,
      "number_observations_unique": 15956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.354
        },
        {
          "type": "R(meas)",
          "value": 0.421
        },
        {
          "type": "I/SigI",
          "value": 3.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.886
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.50],
      "number_observations": 47614,
      "number_observations_unique": 14270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.189
        },
        {
          "type": "R(meas)",
          "value": 0.225
        },
        {
          "type": "I/SigI",
          "value": 5.93
        },
        {
          "type": "CC(1/2)",
          "value": 0.962
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.67],
      "number_observations": 44958,
      "number_observations_unique": 12793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "R(meas)",
          "value": 0.115
        },
        {
          "type": "I/SigI",
          "value": 11.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.37,1.93],
      "number_observations": 34629,
      "number_observations_unique": 10672,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 21.51
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.34,2.37],
      "number_observations": 28915,
      "number_observations_unique": 8419,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 31.61
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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