Data quality metrics extracted from 9cst.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": "a9a7e6c65b7336267c0333a0cb7ead07",
  "space_group_name": "I 41 2 2",
  "unit_cell": {
    "a": 57.820,
    "b": 57.820,
    "c": 184.139,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.88560],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.09,1.13],
    "number_observations_unique": 58555,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.764
      },
      {
        "type": "R(pim)",
        "value": 0.08369
      },
      {
        "type": "I/SigI",
        "value": 60.09
      },
      {
        "type": "Completeness",
        "value": 99.70
      },
      {
        "type": "Redundancy",
        "value": 79.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.946
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.172,1.13],
      "number_observations_unique": 5764,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.208
        },
        {
          "type": "R(meas)",
          "value": 3.229
        },
        {
          "type": "R(pim)",
          "value": 0.3621
        },
        {
          "type": "I/SigI",
          "value": 2.15
        },
        {
          "type": "Completeness",
          "value": 99.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.784
        }
      ]
    }
  ]

}
  

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


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