Data quality metrics extracted from 8jbj.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": "f8f7a9354b9a1815297e83408db00840",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 64.268,
    "b": 76.408,
    "c": 192.424,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.61],
    "number_observations_unique": 122876,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11699999999999999
      },
      {
        "type": "R(meas)",
        "value": 0.127
      },
      {
        "type": "I/SigI",
        "value": 12.16
      },
      {
        "type": "Completeness",
        "value": 84.6
      },
      {
        "type": "Redundancy",
        "value": 5.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.71,1.61],
      "number_observations_unique": 15300,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.767
        },
        {
          "type": "R(meas)",
          "value": 0.909
        },
        {
          "type": "CC(1/2)",
          "value": 0.6
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.71],
      "number_observations_unique": 24411,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.49200000000000005
        },
        {
          "type": "R(meas)",
          "value": 0.5720000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.835
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.83],
      "number_observations_unique": 31394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.37
        },
        {
          "type": "R(meas)",
          "value": 0.41200000000000003
        },
        {
          "type": "CC(1/2)",
          "value": 0.948
        }
      ]
    },
    {
      "resolution_limits": [2.16,1.97],
      "number_observations_unique": 30723,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.294
        },
        {
          "type": "R(meas)",
          "value": 0.318
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.16],
      "number_observations_unique": 27807,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.235
        },
        {
          "type": "R(meas)",
          "value": 0.255
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.79,2.42],
      "number_observations_unique": 24523,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.182
        },
        {
          "type": "R(meas)",
          "value": 0.198
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.41,2.79],
      "number_observations_unique": 20674,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [4.82,3.41],
      "number_observations_unique": 16039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.095
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [10,4.82],
      "number_observations_unique": 8840,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07200000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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