Data quality metrics extracted from 8vnq.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": "6f418f4d5f3025156088216d071e912d",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 114.646,
    "b": 114.646,
    "c": 89.057,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97650],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.2,1.93],
    "number_observations_unique": 97783,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.198
      },
      {
        "type": "R(meas)",
        "value": 0.221
      },
      {
        "type": "I/SigI",
        "value": 4.80
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 9.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,1.93],
      "number_observations_unique": 15294,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7090000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.757
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.05],
      "number_observations_unique": 14939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.552
        },
        {
          "type": "R(meas)",
          "value": 0.612
        },
        {
          "type": "CC(1/2)",
          "value": 0.8059999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.36,2.19],
      "number_observations_unique": 13938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.45399999999999996
        },
        {
          "type": "R(meas)",
          "value": 0.505
        },
        {
          "type": "CC(1/2)",
          "value": 0.85
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.36],
      "number_observations_unique": 12835,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.364
        },
        {
          "type": "R(meas)",
          "value": 0.40700000000000003
        },
        {
          "type": "CC(1/2)",
          "value": 0.8859999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.89,2.59],
      "number_observations_unique": 11543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27899999999999997
        },
        {
          "type": "R(meas)",
          "value": 0.314
        },
        {
          "type": "CC(1/2)",
          "value": 0.9229999999999999
        }
      ]
    },
    {
      "resolution_limits": [3.34,2.89],
      "number_observations_unique": 10200,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.217
        },
        {
          "type": "R(meas)",
          "value": 0.242
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [4.08,3.34],
      "number_observations_unique": 8644,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "R(meas)",
          "value": 0.188
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [5.75,4.08],
      "number_observations_unique": 6668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.141
        },
        {
          "type": "R(meas)",
          "value": 0.159
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [48.2,5.75],
      "number_observations_unique": 3722,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10300000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.113
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}
  

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


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