Data quality metrics extracted from 7iex.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": "c7a96c175ae8e552f2bf57bc999ca917",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.36,
    "b": 73.01,
    "c": 52.62,
    "alpha": 90.00,
    "beta": 109.26,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.82,1.04],
    "number_observations": 497899,
    "number_observations_unique": 151984,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "R(meas)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 9.12
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.1,1.04],
      "number_observations": 73622,
      "number_observations_unique": 24363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.226
        },
        {
          "type": "R(meas)",
          "value": 1.4969999999999999
        },
        {
          "type": "I/SigI",
          "value": 0.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.388
        }
      ]
    },
    {
      "resolution_limits": [1.18,1.10],
      "number_observations": 70657,
      "number_observations_unique": 22768,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.649
        },
        {
          "type": "R(meas)",
          "value": 0.7859999999999999
        },
        {
          "type": "I/SigI",
          "value": 1.51
        },
        {
          "type": "CC(1/2)",
          "value": 0.675
        }
      ]
    },
    {
      "resolution_limits": [1.27,1.18],
      "number_observations": 70759,
      "number_observations_unique": 21550,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.443
        },
        {
          "type": "R(meas)",
          "value": 0.532
        },
        {
          "type": "I/SigI",
          "value": 2.36
        },
        {
          "type": "CC(1/2)",
          "value": 0.807
        }
      ]
    },
    {
      "resolution_limits": [1.39,1.27],
      "number_observations": 65647,
      "number_observations_unique": 19759,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3
        },
        {
          "type": "R(meas)",
          "value": 0.358
        },
        {
          "type": "I/SigI",
          "value": 3.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.39],
      "number_observations": 61424,
      "number_observations_unique": 18003,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        },
        {
          "type": "R(meas)",
          "value": 0.20199999999999999
        },
        {
          "type": "I/SigI",
          "value": 6.39
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [1.8,1.56],
      "number_observations": 54189,
      "number_observations_unique": 15847,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "I/SigI",
          "value": 11.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [2.2,1.80],
      "number_observations": 45634,
      "number_observations_unique": 13456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.055999999999999994
        },
        {
          "type": "I/SigI",
          "value": 22.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.20],
      "number_observations": 36362,
      "number_observations_unique": 10432,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.037000000000000005
        },
        {
          "type": "I/SigI",
          "value": 33.61
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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