Data quality metrics extracted from 9cyp.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": "6bc4e19290f5796fed1eae6a702e3399",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 89.518,
    "b": 89.518,
    "c": 106.110,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.76,1.99],
    "number_observations_unique": 34197,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1866
      },
      {
        "type": "R(meas)",
        "value": 0.1979
      },
      {
        "type": "R(pim)",
        "value": 0.06508
      },
      {
        "type": "I/SigI",
        "value": 6.02
      },
      {
        "type": "Completeness",
        "value": 99.78
      },
      {
        "type": "Redundancy",
        "value": 9.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.061,1.99],
      "number_observations_unique": 3356,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.611
        },
        {
          "type": "R(meas)",
          "value": 2.771
        },
        {
          "type": "R(pim)",
          "value": 0.9209
        },
        {
          "type": "I/SigI",
          "value": 0.91
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 9.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.354
        }
      ]
    }
  ]

}
  

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


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