Data quality metrics extracted from 8vnf.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": "e3ac3fc8057ad58cdeed497b11e410e0",
  "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": [43.07,1.5],
    "number_observations_unique": 205799,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "R(meas)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 12.04
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 11
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.50],
      "number_observations_unique": 33106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9329999999999999
        },
        {
          "type": "R(meas)",
          "value": 1.031
        },
        {
          "type": "CC(1/2)",
          "value": 0.7240000000000001
        }
      ]
    },
    {
      "resolution_limits": [1.7,1.59],
      "number_observations_unique": 31327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48700000000000004
        },
        {
          "type": "R(meas)",
          "value": 0.537
        },
        {
          "type": "CC(1/2)",
          "value": 0.909
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.70],
      "number_observations_unique": 29121,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.268
        },
        {
          "type": "R(meas)",
          "value": 0.295
        },
        {
          "type": "CC(1/2)",
          "value": 0.9670000000000001
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.83],
      "number_observations_unique": 26787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.16399999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.18100000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.01],
      "number_observations_unique": 24281,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "R(meas)",
          "value": 0.11800000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.25],
      "number_observations_unique": 21409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08199999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.9940000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.17,2.59],
      "number_observations_unique": 18079,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.48,3.17],
      "number_observations_unique": 13972,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.055999999999999994
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [43.07,4.48],
      "number_observations_unique": 7717,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040999999999999995
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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