Data quality metrics extracted from 8a4v.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": "5eac1af0a03529d90dccd93e8c57b45a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.35,
    "b": 62.75,
    "c": 68.35,
    "alpha": 105.625,
    "beta": 93.316,
    "gamma": 115.454
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.42,1.65],
    "number_observations_unique": 95327,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.3106
      },
      {
        "type": "R(meas)",
        "value": 0.3356
      },
      {
        "type": "R(pim)",
        "value": 0.1258
      },
      {
        "type": "I/SigI",
        "value": 5.97
      },
      {
        "type": "Completeness",
        "value": 97.57
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.709,1.65],
      "number_observations_unique": 9473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.574
        },
        {
          "type": "R(meas)",
          "value": 2.774
        },
        {
          "type": "R(pim)",
          "value": 1.026
        },
        {
          "type": "I/SigI",
          "value": 1.15
        },
        {
          "type": "Completeness",
          "value": 96.99
        },
        {
          "type": "Redundancy",
          "value": 7.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.368
        }
      ]
    }
  ]

}
  

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


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