Data quality metrics extracted from 8q5j.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": "3d868b01ca231abef1c20906b8986c42",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 121.27,
    "b": 46.89,
    "c": 75.73,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.38,1.48],
    "number_observations_unique": 139161,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.154
      },
      {
        "type": "R(meas)",
        "value": 0.168
      },
      {
        "type": "I/SigI",
        "value": 9.82
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 12.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.52,1.48],
      "number_observations_unique": 10321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.238
        },
        {
          "type": "R(meas)",
          "value": 2.636
        },
        {
          "type": "CC(1/2)",
          "value": 0.19899999999999998
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.52],
      "number_observations_unique": 9989,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.8969999999999998
        },
        {
          "type": "R(meas)",
          "value": 2.149
        },
        {
          "type": "CC(1/2)",
          "value": 0.364
        }
      ]
    },
    {
      "resolution_limits": [1.61,1.56],
      "number_observations_unique": 9789,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.585
        },
        {
          "type": "R(meas)",
          "value": 1.771
        },
        {
          "type": "CC(1/2)",
          "value": 0.484
        }
      ]
    },
    {
      "resolution_limits": [1.65,1.61],
      "number_observations_unique": 9453,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.3
        },
        {
          "type": "R(meas)",
          "value": 1.435
        },
        {
          "type": "CC(1/2)",
          "value": 0.632
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.65],
      "number_observations_unique": 9190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.146
        },
        {
          "type": "R(meas)",
          "value": 1.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.7290000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.71],
      "number_observations_unique": 8878,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.888
        },
        {
          "type": "R(meas)",
          "value": 0.9670000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.8270000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.84,1.77],
      "number_observations_unique": 8571,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7120000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.775
        },
        {
          "type": "CC(1/2)",
          "value": 0.89
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.84],
      "number_observations_unique": 8256,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.583
        },
        {
          "type": "R(meas)",
          "value": 0.633
        },
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    },
    {
      "resolution_limits": [2.0,1.91],
      "number_observations_unique": 7913,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.461
        },
        {
          "type": "R(meas)",
          "value": 0.501
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [2.09,2.00],
      "number_observations_unique": 7571,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.355
        },
        {
          "type": "R(meas)",
          "value": 0.385
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [2.21,2.09],
      "number_observations_unique": 7174,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.315
        },
        {
          "type": "R(meas)",
          "value": 0.34299999999999997
        },
        {
          "type": "CC(1/2)",
          "value": 0.9840000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.34,2.21],
      "number_observations_unique": 6849,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.275
        },
        {
          "type": "R(meas)",
          "value": 0.299
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.5,2.34],
      "number_observations_unique": 6359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "R(meas)",
          "value": 0.259
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.7,2.50],
      "number_observations_unique": 5949,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(meas)",
          "value": 0.218
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.70],
      "number_observations_unique": 5479,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        },
        {
          "type": "R(meas)",
          "value": 0.158
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.31,2.96],
      "number_observations_unique": 4942,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10300000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.11199999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.82,3.31],
      "number_observations_unique": 4357,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.68,3.82],
      "number_observations_unique": 3730,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054000000000000006
        },
        {
          "type": "R(meas)",
          "value": 0.059000000000000004
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.62,4.68],
      "number_observations_unique": 2819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055999999999999994
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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