Data quality metrics extracted from 8zes.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": "c72f8375dd6bbe8b45ba8dc8a06d7344",
  "space_group_name": "I 21 21 21",
  "unit_cell": {
    "a": 126.64,
    "b": 194.24,
    "c": 264.37,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.0,3.7],
    "number_observations_unique": 34890,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.205
      },
      {
        "type": "R(meas)",
        "value": 0.228
      },
      {
        "type": "I/SigI",
        "value": 6.60
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 5.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.8,3.70],
      "number_observations_unique": 2681,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.828
        },
        {
          "type": "R(meas)",
          "value": 3.162
        },
        {
          "type": "CC(1/2)",
          "value": 0.321
        }
      ]
    },
    {
      "resolution_limits": [3.9,3.80],
      "number_observations_unique": 2381,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.326
        },
        {
          "type": "R(meas)",
          "value": 2.595
        },
        {
          "type": "CC(1/2)",
          "value": 0.342
        }
      ]
    },
    {
      "resolution_limits": [4.0,3.90],
      "number_observations_unique": 2166,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.984
        },
        {
          "type": "R(meas)",
          "value": 2.206
        },
        {
          "type": "CC(1/2)",
          "value": 0.444
        }
      ]
    },
    {
      "resolution_limits": [4.1,4.00],
      "number_observations_unique": 1948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.539
        },
        {
          "type": "R(meas)",
          "value": 1.709
        },
        {
          "type": "CC(1/2)",
          "value": 0.69
        }
      ]
    },
    {
      "resolution_limits": [4.2,4.10],
      "number_observations_unique": 1780,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.12
        },
        {
          "type": "R(meas)",
          "value": 1.243
        },
        {
          "type": "CC(1/2)",
          "value": 0.775
        }
      ]
    },
    {
      "resolution_limits": [4.3,4.20],
      "number_observations_unique": 1613,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.913
        },
        {
          "type": "R(meas)",
          "value": 1.014
        },
        {
          "type": "CC(1/2)",
          "value": 0.835
        }
      ]
    },
    {
      "resolution_limits": [4.5,4.30],
      "number_observations_unique": 2828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.623
        },
        {
          "type": "R(meas)",
          "value": 0.694
        },
        {
          "type": "CC(1/2)",
          "value": 0.89
        }
      ]
    },
    {
      "resolution_limits": [5.0,4.50],
      "number_observations_unique": 5210,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.412
        },
        {
          "type": "R(meas)",
          "value": 0.458
        },
        {
          "type": "CC(1/2)",
          "value": 0.96
        }
      ]
    },
    {
      "resolution_limits": [5.5,5.00],
      "number_observations_unique": 3520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.289
        },
        {
          "type": "R(meas)",
          "value": 0.32
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [6.0,5.50],
      "number_observations_unique": 2443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "R(meas)",
          "value": 0.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [8.5,6.00],
      "number_observations_unique": 5326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "R(meas)",
          "value": 0.131
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [10.0,8.50],
      "number_observations_unique": 1130,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [20.0,10.00],
      "number_observations_unique": 1609,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [80.00,20.00],
      "number_observations_unique": 255,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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