Data quality metrics extracted from 9c5w.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": "597124464741c8d6b16aa1b99b05dbac",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 75.427,
    "b": 75.427,
    "c": 331.203,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.36,2.10],
    "number_observations_unique": 57316,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.159
      },
      {
        "type": "R(meas)",
        "value": 0.165
      },
      {
        "type": "R(pim)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 13.1
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 26.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.16,2.10],
      "number_observations_unique": 4364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.188
        },
        {
          "type": "R(meas)",
          "value": 1.234
        },
        {
          "type": "R(pim)",
          "value": 0.332
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 25.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.846
        }
      ]
    }
  ]

}
  

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


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