Data quality metrics extracted from 9c1a.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": "8e65aea6deb80026e5bfd0c1df28995f",
  "space_group_name": "P 6 2 2",
  "unit_cell": {
    "a": 108.653,
    "b": 108.653,
    "c": 65.759,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.33,1.96],
    "number_observations_unique": 16016,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.202
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 19.82
      },
      {
        "type": "Completeness",
        "value": 94.03
      },
      {
        "type": "Redundancy",
        "value": 38.3
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,1.96],
      "number_observations_unique": 1643,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.732
        },
        {
          "type": "R(pim)",
          "value": 0.293
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 99.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.943
        }
      ]
    }
  ]

}
  

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


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