Data quality metrics extracted from 8vne.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": "1b4ba5fcab175656f805f8ce8622f6ba",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 114.06,
    "b": 114.06,
    "c": 88.02,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97650],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.37,1.57],
    "number_observations_unique": 179974,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07400000000000001
      },
      {
        "type": "R(meas)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 12.87
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 11.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.57],
      "number_observations_unique": 28878,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.77
        },
        {
          "type": "R(meas)",
          "value": 0.851
        },
        {
          "type": "CC(1/2)",
          "value": 0.75
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.66],
      "number_observations_unique": 27461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.415
        },
        {
          "type": "R(meas)",
          "value": 0.45799999999999996
        },
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.78],
      "number_observations_unique": 25459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.256
        },
        {
          "type": "R(meas)",
          "value": 0.282
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [2.1,1.92],
      "number_observations_unique": 23472,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.15
        },
        {
          "type": "R(meas)",
          "value": 0.165
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.10],
      "number_observations_unique": 21156,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10300000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.113
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.35],
      "number_observations_unique": 18788,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.32,2.71],
      "number_observations_unique": 15766,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.68,3.32],
      "number_observations_unique": 12228,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [34.37,4.68],
      "number_observations_unique": 6766,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037000000000000005
        },
        {
          "type": "R(meas)",
          "value": 0.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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