Data quality metrics extracted from 9da5.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": "bb2ff2b352603790859c2b378bcc74c7",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 60.639,
    "b": 64.999,
    "c": 128.977,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.78,2.82],
    "number_observations": 53751,
    "number_observations_unique": 6432,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.15
      },
      {
        "type": "R(meas)",
        "value": 0.253
      },
      {
        "type": "R(pim)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 7.3
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 8.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.97,2.82],
      "number_observations": 7403,
      "number_observations_unique": 922,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.019
        },
        {
          "type": "R(meas)",
          "value": 1.088
        },
        {
          "type": "R(pim)",
          "value": 0.376
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Redundancy",
          "value": 8.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.808
        }
      ]
    }
  ]

}
  

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


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