Data quality metrics extracted from 8xgz.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": "1df4c04f05472be0449073bfb44fbc20",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 77.719,
    "b": 77.719,
    "c": 141.209,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.44],
    "number_observations_unique": 30837,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.432
      },
      {
        "type": "I/SigI",
        "value": 10.49
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 10.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.58,2.44],
      "number_observations_unique": 4908,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.734
        },
        {
          "type": "R(meas)",
          "value": 0.862
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.711
        }
      ]
    },
    {
      "resolution_limits": [2.76,2.58],
      "number_observations_unique": 4703,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.273
        },
        {
          "type": "R(meas)",
          "value": 0.462
        },
        {
          "type": "CC(1/2)",
          "value": 0.857
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.76],
      "number_observations_unique": 4363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.844
        },
        {
          "type": "R(meas)",
          "value": 0.259
        },
        {
          "type": "CC(1/2)",
          "value": 0.939
        }
      ]
    },
    {
      "resolution_limits": [3.26,2.98],
      "number_observations_unique": 4011,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.452
        },
        {
          "type": "R(meas)",
          "value": 0.174
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [3.65,3.26],
      "number_observations_unique": 3639,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.253
        },
        {
          "type": "R(meas)",
          "value": 0.16
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [4.21,3.65],
      "number_observations_unique": 3199,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "R(meas)",
          "value": 0.125
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [5.14,4.21],
      "number_observations_unique": 2723,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [7.22,5.14],
      "number_observations_unique": 2109,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [50,7.22],
      "number_observations_unique": 1182,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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