Data quality metrics extracted from 7i1d.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": "3f987735964e95ae17039c5b1d62938d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.96,
    "b": 99.47,
    "c": 103.93,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.06,2.0],
    "number_observations": 286525,
    "number_observations_unique": 48096,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.168
      },
      {
        "type": "R(meas)",
        "value": 0.184
      },
      {
        "type": "I/SigI",
        "value": 9.25
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.12,2.00],
      "number_observations": 47209,
      "number_observations_unique": 7682,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.61
        },
        {
          "type": "R(meas)",
          "value": 1.7590000000000001
        },
        {
          "type": "I/SigI",
          "value": 1.10
        },
        {
          "type": "CC(1/2)",
          "value": 0.38
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.12],
      "number_observations": 43979,
      "number_observations_unique": 7238,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.976
        },
        {
          "type": "R(meas)",
          "value": 1.067
        },
        {
          "type": "I/SigI",
          "value": 1.81
        },
        {
          "type": "CC(1/2)",
          "value": 0.609
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.27],
      "number_observations": 39893,
      "number_observations_unique": 6750,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6579999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.721
        },
        {
          "type": "I/SigI",
          "value": 2.67
        },
        {
          "type": "CC(1/2)",
          "value": 0.7759999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.68,2.45],
      "number_observations": 36156,
      "number_observations_unique": 6219,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.419
        },
        {
          "type": "R(meas)",
          "value": 0.461
        },
        {
          "type": "I/SigI",
          "value": 4.06
        },
        {
          "type": "CC(1/2)",
          "value": 0.8909999999999999
        }
      ]
    },
    {
      "resolution_limits": [3.0,2.68],
      "number_observations": 35023,
      "number_observations_unique": 5667,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.24
        },
        {
          "type": "R(meas)",
          "value": 0.262
        },
        {
          "type": "I/SigI",
          "value": 7.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [3.46,3.00],
      "number_observations": 29713,
      "number_observations_unique": 5024,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.13699999999999998
        },
        {
          "type": "I/SigI",
          "value": 13.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [4.23,3.46],
      "number_observations": 24164,
      "number_observations_unique": 4242,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 23.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.95,4.23],
      "number_observations": 19865,
      "number_observations_unique": 3348,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.054000000000000006
        },
        {
          "type": "I/SigI",
          "value": 31.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [46.06,5.95],
      "number_observations": 10523,
      "number_observations_unique": 1926,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037000000000000005
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 34.65
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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