Data quality metrics extracted from 9ieg.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "6ea53cbe3c0e8fc7f9b5534924765a06",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 104.614,
    "b": 104.614,
    "c": 160.489,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.06,1.27],
    "number_observations_unique": 263836,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.117
      },
      {
        "type": "R(meas)",
        "value": 0.123
      },
      {
        "type": "I/SigI",
        "value": 10.12
      },
      {
        "type": "Completeness",
        "value": 83.5
      },
      {
        "type": "Redundancy",
        "value": 7.57
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.54],
      "number_observations_unique": 20310,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.67
        },
        {
          "type": "R(meas)",
          "value": 1.775
        },
        {
          "type": "I/SigI",
          "value": 2.77
        },
        {
          "type": "Completeness",
          "value": 87.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.685
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.63],
      "number_observations_unique": 19818,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.098
        },
        {
          "type": "R(meas)",
          "value": 1.167
        },
        {
          "type": "I/SigI",
          "value": 7.61
        },
        {
          "type": "Completeness",
          "value": 95.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.817
        }
      ]
    },
    {
      "resolution_limits": [1.89,1.75],
      "number_observations_unique": 19236,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.641
        },
        {
          "type": "R(meas)",
          "value": 0.681
        },
        {
          "type": "I/SigI",
          "value": 7.61
        },
        {
          "type": "Completeness",
          "value": 95.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    },
    {
      "resolution_limits": [2.07,1.89],
      "number_observations_unique": 18575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.342
        },
        {
          "type": "R(meas)",
          "value": 0.363
        },
        {
          "type": "I/SigI",
          "value": 11.54
        },
        {
          "type": "Completeness",
          "value": 97.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.07],
      "number_observations_unique": 17223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "R(meas)",
          "value": 0.219
        },
        {
          "type": "I/SigI",
          "value": 15.71
        },
        {
          "type": "Completeness",
          "value": 98.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.66,2.31],
      "number_observations_unique": 15478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "R(meas)",
          "value": 0.153
        },
        {
          "type": "I/SigI",
          "value": 20.30
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.26,2.66],
      "number_observations_unique": 13219,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1
        },
        {
          "type": "R(meas)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 23.65
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.6,3.26],
      "number_observations_unique": 10362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 24.12
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [46.06,4.60],
      "number_observations_unique": 5975,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.099
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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