Data quality metrics extracted from 8q6w.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": "b8d6c746e172336a6f294d467ed3f299",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 68.09,
    "b": 68.09,
    "c": 41.02,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54187],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.4],
    "number_observations_unique": 41808,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "R(meas)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 14.55
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 9.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.48,1.40],
      "number_observations_unique": 6633,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.295
        },
        {
          "type": "R(meas)",
          "value": 1.391
        },
        {
          "type": "CC(1/2)",
          "value": 0.608
        }
      ]
    },
    {
      "resolution_limits": [1.59,1.48],
      "number_observations_unique": 6387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7829999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.823
        },
        {
          "type": "CC(1/2)",
          "value": 0.8690000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.59],
      "number_observations_unique": 5938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.484
        },
        {
          "type": "R(meas)",
          "value": 0.51
        },
        {
          "type": "CC(1/2)",
          "value": 0.9440000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.88,1.71],
      "number_observations_unique": 5445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.268
        },
        {
          "type": "R(meas)",
          "value": 0.282
        },
        {
          "type": "CC(1/2)",
          "value": 0.9840000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.1,1.88],
      "number_observations_unique": 4944,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.141
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.10],
      "number_observations_unique": 4359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08900000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.094
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.42],
      "number_observations_unique": 3681,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [4.17,2.96],
      "number_observations_unique": 2838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.17],
      "number_observations_unique": 1583,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.040999999999999995
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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