Data quality metrics extracted from 7iik.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": "770d1fb66076c8926105dc736a975e60",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.31,
    "b": 73.20,
    "c": 52.55,
    "alpha": 90.00,
    "beta": 109.36,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.10,1.33],
    "number_observations": 331061,
    "number_observations_unique": 74181,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.113
      },
      {
        "type": "R(meas)",
        "value": 0.128
      },
      {
        "type": "I/SigI",
        "value": 7.88
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.41,1.33],
      "number_observations": 50469,
      "number_observations_unique": 11712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.415
        },
        {
          "type": "R(meas)",
          "value": 1.612
        },
        {
          "type": "I/SigI",
          "value": 0.90
        },
        {
          "type": "CC(1/2)",
          "value": 0.443
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.41],
      "number_observations": 48280,
      "number_observations_unique": 11313,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.946
        },
        {
          "type": "R(meas)",
          "value": 1.081
        },
        {
          "type": "I/SigI",
          "value": 1.41
        },
        {
          "type": "CC(1/2)",
          "value": 0.61
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.51],
      "number_observations": 46516,
      "number_observations_unique": 10519,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.616
        },
        {
          "type": "R(meas)",
          "value": 0.701
        },
        {
          "type": "I/SigI",
          "value": 2.32
        },
        {
          "type": "CC(1/2)",
          "value": 0.8
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.63],
      "number_observations": 45734,
      "number_observations_unique": 9652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.389
        },
        {
          "type": "R(meas)",
          "value": 0.437
        },
        {
          "type": "I/SigI",
          "value": 3.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.916
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.78],
      "number_observations": 40793,
      "number_observations_unique": 8746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.22
        },
        {
          "type": "R(meas)",
          "value": 0.248
        },
        {
          "type": "I/SigI",
          "value": 7.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [2.3,1.99],
      "number_observations": 33995,
      "number_observations_unique": 7752,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 11.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.30],
      "number_observations": 28194,
      "number_observations_unique": 6550,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 16.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.97,2.81],
      "number_observations": 23802,
      "number_observations_unique": 5082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 27.27
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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