Data quality metrics extracted from 11cw.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "b84bfe07e94fe29425dee08a0b2bbee6",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 113.754,
    "b": 185.055,
    "c": 93.734,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.61990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.23,3.16],
    "number_observations": 45988,
    "number_observations_unique": 15746,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.194
      },
      {
        "type": "R(meas)",
        "value": 0.235
      },
      {
        "type": "R(pim)",
        "value": 0.130
      },
      {
        "type": "I/SigI",
        "value": 9.5
      },
      {
        "type": "Completeness",
        "value": 90.5
      },
      {
        "type": "Redundancy",
        "value": 2.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.939
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.21,3.16],
      "number_observations": 2293,
      "number_observations_unique": 788,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.720
        },
        {
          "type": "R(meas)",
          "value": 0.875
        },
        {
          "type": "R(pim)",
          "value": 0.491
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Redundancy",
          "value": 2.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.530
        }
      ]
    }
  ]

}
  

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


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