Data quality metrics extracted from 7ieu.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": "030bf95edae63b5d0b1c4577af525bff",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.28,
    "b": 73.37,
    "c": 52.31,
    "alpha": 90.00,
    "beta": 109.34,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.95,1.18],
    "number_observations": 346618,
    "number_observations_unique": 99304,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "R(meas)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 11.90
      },
      {
        "type": "Completeness",
        "value": 93.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.25,1.18],
      "number_observations": 53583,
      "number_observations_unique": 15456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.217
        },
        {
          "type": "R(meas)",
          "value": 1.439
        },
        {
          "type": "I/SigI",
          "value": 0.98
        },
        {
          "type": "CC(1/2)",
          "value": 0.39
        }
      ]
    },
    {
      "resolution_limits": [1.34,1.25],
      "number_observations": 50029,
      "number_observations_unique": 14687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.882
        },
        {
          "type": "R(meas)",
          "value": 1.044
        },
        {
          "type": "I/SigI",
          "value": 1.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.614
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.34],
      "number_observations": 50321,
      "number_observations_unique": 14071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.544
        },
        {
          "type": "R(meas)",
          "value": 0.639
        },
        {
          "type": "I/SigI",
          "value": 2.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.797
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.44],
      "number_observations": 44984,
      "number_observations_unique": 13034,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.307
        },
        {
          "type": "R(meas)",
          "value": 0.363
        },
        {
          "type": "I/SigI",
          "value": 3.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.911
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.58],
      "number_observations": 42217,
      "number_observations_unique": 11842,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "R(meas)",
          "value": 0.195
        },
        {
          "type": "I/SigI",
          "value": 7.39
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [2.04,1.77],
      "number_observations": 37605,
      "number_observations_unique": 10586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 15.71
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.5,2.04],
      "number_observations": 29465,
      "number_observations_unique": 8721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 27.38
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.53,2.50],
      "number_observations": 24932,
      "number_observations_unique": 7054,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 45.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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