Data quality metrics extracted from 7iie.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": "129db0408f308f8493aad4921145fb1c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.22,
    "b": 72.95,
    "c": 52.52,
    "alpha": 90.00,
    "beta": 109.62,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.50,1.04],
    "number_observations": 656328,
    "number_observations_unique": 154132,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "R(meas)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 7.95
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.1,1.04],
      "number_observations": 93824,
      "number_observations_unique": 23788,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.178
        },
        {
          "type": "R(meas)",
          "value": 1.362
        },
        {
          "type": "I/SigI",
          "value": 0.86
        },
        {
          "type": "CC(1/2)",
          "value": 0.456
        }
      ]
    },
    {
      "resolution_limits": [1.17,1.10],
      "number_observations": 92251,
      "number_observations_unique": 23540,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.618
        },
        {
          "type": "R(meas)",
          "value": 0.716
        },
        {
          "type": "I/SigI",
          "value": 1.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.733
        }
      ]
    },
    {
      "resolution_limits": [1.27,1.17],
      "number_observations": 98013,
      "number_observations_unique": 21951,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.42
        },
        {
          "type": "R(meas)",
          "value": 0.478
        },
        {
          "type": "I/SigI",
          "value": 2.73
        },
        {
          "type": "CC(1/2)",
          "value": 0.862
        }
      ]
    },
    {
      "resolution_limits": [1.39,1.27],
      "number_observations": 89764,
      "number_observations_unique": 20226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.282
        },
        {
          "type": "R(meas)",
          "value": 0.32
        },
        {
          "type": "I/SigI",
          "value": 4.06
        },
        {
          "type": "CC(1/2)",
          "value": 0.933
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.39],
      "number_observations": 77272,
      "number_observations_unique": 18327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "R(meas)",
          "value": 0.19
        },
        {
          "type": "I/SigI",
          "value": 6.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.55],
      "number_observations": 74513,
      "number_observations_unique": 16159,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "R(meas)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 12.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [2.19,1.79],
      "number_observations": 59726,
      "number_observations_unique": 13678,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 19.59
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.1,2.19],
      "number_observations": 43298,
      "number_observations_unique": 10552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 24.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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