Data quality metrics extracted from 6bga.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": "2e35881113c14d231747eb2736c64411",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 79.107,
    "b": 58.851,
    "c": 224.619,
    "alpha": 90.00,
    "beta": 91.71,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.307],
    "number_observations_unique": 44671,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1416
      },
      {
        "type": "R(meas)",
        "value": 0.1658
      },
      {
        "type": "R(pim)",
        "value": 0.08509
      },
      {
        "type": "I/SigI",
        "value": 8.52
      },
      {
        "type": "Completeness",
        "value": 97.24
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.39,2.307],
      "number_observations_unique": 4264,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.043
        },
        {
          "type": "R(meas)",
          "value": 1.223
        },
        {
          "type": "R(pim)",
          "value": 0.6306
        },
        {
          "type": "I/SigI",
          "value": 1.19
        },
        {
          "type": "Completeness",
          "value": 93.69
        },
        {
          "type": "Redundancy",
          "value": 3.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.481
        }
      ]
    }
  ]

}
  

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


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