Data quality metrics extracted from 7i1i.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": "555ca5ff2a8ae2b0a925de65764f47d9",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.83,
    "b": 98.84,
    "c": 102.55,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.51,1.88],
    "number_observations": 303495,
    "number_observations_unique": 55934,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11599999999999999
      },
      {
        "type": "R(meas)",
        "value": 0.128
      },
      {
        "type": "I/SigI",
        "value": 9.77
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.99,1.88],
      "number_observations": 40546,
      "number_observations_unique": 8690,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.4480000000000002
        },
        {
          "type": "R(meas)",
          "value": 1.625
        },
        {
          "type": "I/SigI",
          "value": 0.98
        },
        {
          "type": "CC(1/2)",
          "value": 0.392
        }
      ]
    },
    {
      "resolution_limits": [2.13,1.99],
      "number_observations": 43473,
      "number_observations_unique": 8415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9229999999999999
        },
        {
          "type": "R(meas)",
          "value": 1.024
        },
        {
          "type": "I/SigI",
          "value": 1.70
        },
        {
          "type": "CC(1/2)",
          "value": 0.642
        }
      ]
    },
    {
      "resolution_limits": [2.3,2.13],
      "number_observations": 41932,
      "number_observations_unique": 7893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5770000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.639
        },
        {
          "type": "I/SigI",
          "value": 2.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.816
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.30],
      "number_observations": 38428,
      "number_observations_unique": 7206,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.355
        },
        {
          "type": "R(meas)",
          "value": 0.39299999999999996
        },
        {
          "type": "I/SigI",
          "value": 4.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.929
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.52],
      "number_observations": 40671,
      "number_observations_unique": 6659,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "R(meas)",
          "value": 0.242
        },
        {
          "type": "I/SigI",
          "value": 7.65
        },
        {
          "type": "CC(1/2)",
          "value": 0.9740000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.25,2.81],
      "number_observations": 35527,
      "number_observations_unique": 5897,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12300000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 13.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.25],
      "number_observations": 27432,
      "number_observations_unique": 4975,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 23.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [5.6,3.97],
      "number_observations": 23025,
      "number_observations_unique": 3948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 35.08
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [45.51,5.60],
      "number_observations": 12461,
      "number_observations_unique": 2251,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.036000000000000004
        },
        {
          "type": "I/SigI",
          "value": 36.66
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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