Data quality metrics extracted from 9d2k.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": "963db5df2c9838f90ac63859b970205d",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 112.983,
    "b": 112.983,
    "c": 223.834,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.89,2.7],
    "number_observations_unique": 39798,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.312
      },
      {
        "type": "R(meas)",
        "value": 0.325
      },
      {
        "type": "R(pim)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 10.9
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 11.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.796,2.7],
      "number_observations_unique": 3778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.214
        },
        {
          "type": "R(meas)",
          "value": 3.380
        },
        {
          "type": "R(pim)",
          "value": 1.023
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Completeness",
          "value": 95.47
        },
        {
          "type": "Redundancy",
          "value": 9.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.472
        }
      ]
    }
  ]

}
  

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


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