Data quality metrics extracted from 9z95.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": "fd845242094195acb2ac9bc0f4f5ecc5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 67.551,
    "b": 42.228,
    "c": 69.562,
    "alpha": 90.000,
    "beta": 98.966,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.53,1.1],
    "number_observations_unique": 289779,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1137
      },
      {
        "type": "R(meas)",
        "value": 0.1409
      },
      {
        "type": "R(pim)",
        "value": 0.08156
      },
      {
        "type": "I/SigI",
        "value": 5.37
      },
      {
        "type": "Completeness",
        "value": 93.95
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.966
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.11,1.1],
      "number_observations_unique": 10308,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3296
        },
        {
          "type": "R(meas)",
          "value": 0.3825
        },
        {
          "type": "R(pim)",
          "value": 0.193
        },
        {
          "type": "I/SigI",
          "value": 0.85
        },
        {
          "type": "Completeness",
          "value": 89.90
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.877
        }
      ]
    }
  ]

}
  

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


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