Data quality metrics extracted from 7i1e.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": "6d7827b5ba1b713a8712ca4c12d0cde5",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.92,
    "b": 99.59,
    "c": 103.67,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.98,1.88],
    "number_observations": 333006,
    "number_observations_unique": 57498,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.142
      },
      {
        "type": "R(meas)",
        "value": 0.157
      },
      {
        "type": "I/SigI",
        "value": 8.62
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.99,1.88],
      "number_observations": 51568,
      "number_observations_unique": 9151,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.33
        },
        {
          "type": "R(meas)",
          "value": 1.466
        },
        {
          "type": "I/SigI",
          "value": 1.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.45299999999999996
        }
      ]
    },
    {
      "resolution_limits": [2.13,1.99],
      "number_observations": 53179,
      "number_observations_unique": 8654,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.841
        },
        {
          "type": "R(meas)",
          "value": 0.919
        },
        {
          "type": "I/SigI",
          "value": 1.89
        },
        {
          "type": "CC(1/2)",
          "value": 0.701
        }
      ]
    },
    {
      "resolution_limits": [2.3,2.13],
      "number_observations": 48904,
      "number_observations_unique": 8061,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.529
        },
        {
          "type": "R(meas)",
          "value": 0.579
        },
        {
          "type": "I/SigI",
          "value": 3.02
        },
        {
          "type": "CC(1/2)",
          "value": 0.846
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.30],
      "number_observations": 42062,
      "number_observations_unique": 7424,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.34700000000000003
        },
        {
          "type": "R(meas)",
          "value": 0.382
        },
        {
          "type": "I/SigI",
          "value": 4.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.927
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.52],
      "number_observations": 41478,
      "number_observations_unique": 6778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.22899999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.251
        },
        {
          "type": "I/SigI",
          "value": 7.30
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [3.25,2.82],
      "number_observations": 35518,
      "number_observations_unique": 6008,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.14800000000000002
        },
        {
          "type": "I/SigI",
          "value": 12.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [3.98,3.25],
      "number_observations": 26557,
      "number_observations_unique": 5081,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 20.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [5.6,3.98],
      "number_observations": 21711,
      "number_observations_unique": 4014,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052000000000000005
        },
        {
          "type": "R(meas)",
          "value": 0.057999999999999996
        },
        {
          "type": "I/SigI",
          "value": 28.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [45.98,5.60],
      "number_observations": 12029,
      "number_observations_unique": 2327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040999999999999995
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 30.05
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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