Data quality metrics extracted from 6nwz.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": "db507e48fba0e8d38f7d6088a9b97f58",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 77.97,
    "b": 77.97,
    "c": 640.31,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.28308],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.870,2.590],
    "number_observations_unique": 37314,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.02467
      },
      {
        "type": "R(meas)",
        "value": 0.03489
      },
      {
        "type": "R(pim)",
        "value": 0.02467
      },
      {
        "type": "I/SigI",
        "value": 17.91
      },
      {
        "type": "Completeness",
        "value": 86.13
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.694,2.590],
      "number_observations_unique": 487,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.364
        },
        {
          "type": "R(meas)",
          "value": 0.364
        },
        {
          "type": "R(pim)",
          "value": 0.257
        },
        {
          "type": "Completeness",
          "value": 13.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    }
  ]

}
  

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


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