Data quality metrics extracted from 6f9g.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": "4f12e6a3491d57eb45b5dc0a9389a2df",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 133.984,
    "b": 164.521,
    "c": 123.612,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900,0.97912,0.97670],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [79.53,2.388],
    "number_observations_unique": 52459,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09447
      },
      {
        "type": "R(meas)",
        "value": 0.1136
      },
      {
        "type": "R(pim)",
        "value": 0.06157
      },
      {
        "type": "I/SigI",
        "value": 8.80
      },
      {
        "type": "Completeness",
        "value": 96.31
      },
      {
        "type": "Redundancy",
        "value": 3.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.473,2.388],
      "number_observations_unique": 4922,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5978
        },
        {
          "type": "R(meas)",
          "value": 0.7273
        },
        {
          "type": "R(pim)",
          "value": 0.4033
        },
        {
          "type": "I/SigI",
          "value": 1.51
        },
        {
          "type": "Completeness",
          "value": 90.98
        },
        {
          "type": "Redundancy",
          "value": 2.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.726
        }
      ]
    }
  ]

}
  

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


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