Data quality metrics extracted from 6zxb.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": "ae49b0e2a0a23c349b34ac85785d8235",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 136.676,
    "b": 39.344,
    "c": 146.222,
    "alpha": 90.00,
    "beta": 108.77,
    "gamma": 90.00
  },
  "wavelengths": [0.97939],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.04,2.19],
    "number_observations_unique": 38136,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09907
      },
      {
        "type": "R(meas)",
        "value": 0.1107
      },
      {
        "type": "R(pim)",
        "value": 0.04849
      },
      {
        "type": "I/SigI",
        "value": 10.70
      },
      {
        "type": "Completeness",
        "value": 98.41
      },
      {
        "type": "Redundancy",
        "value": 5.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.25,2.19],
      "number_observations_unique": 3199,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.328
        },
        {
          "type": "R(pim)",
          "value": 0.917
        },
        {
          "type": "Redundancy",
          "value": 5.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.944
        }
      ]
    }
  ]

}
  

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


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