Data quality metrics extracted from 7i1a.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": "c481615c449914f2abbd21b17e7a0eb0",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.83,
    "b": 99.09,
    "c": 103.14,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.20,1.73],
    "number_observations": 430496,
    "number_observations_unique": 71360,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10400000000000001
      },
      {
        "type": "R(meas)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 12.20
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.83,1.73],
      "number_observations": 70045,
      "number_observations_unique": 11368,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.521
        },
        {
          "type": "R(meas)",
          "value": 1.66
        },
        {
          "type": "I/SigI",
          "value": 1.18
        },
        {
          "type": "CC(1/2)",
          "value": 0.44799999999999995
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.83],
      "number_observations": 61634,
      "number_observations_unique": 10600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.848
        },
        {
          "type": "R(meas)",
          "value": 0.9309999999999999
        },
        {
          "type": "I/SigI",
          "value": 2.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.69
        }
      ]
    },
    {
      "resolution_limits": [2.12,1.96],
      "number_observations": 62547,
      "number_observations_unique": 10040,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.489
        },
        {
          "type": "R(meas)",
          "value": 0.5329999999999999
        },
        {
          "type": "I/SigI",
          "value": 3.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.89
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.12],
      "number_observations": 57606,
      "number_observations_unique": 9312,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.289
        },
        {
          "type": "R(meas)",
          "value": 0.315
        },
        {
          "type": "I/SigI",
          "value": 6.27
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.32],
      "number_observations": 49050,
      "number_observations_unique": 8321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17600000000000002
        },
        {
          "type": "R(meas)",
          "value": 0.193
        },
        {
          "type": "I/SigI",
          "value": 9.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.59],
      "number_observations": 47206,
      "number_observations_unique": 7542,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "R(meas)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 16.19
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.66,2.99],
      "number_observations": 36397,
      "number_observations_unique": 6303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 27.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.16,3.66],
      "number_observations": 30204,
      "number_observations_unique": 5043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.037000000000000005
        },
        {
          "type": "I/SigI",
          "value": 45.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [49.20,5.16],
      "number_observations": 15807,
      "number_observations_unique": 2831,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027000000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 47.43
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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