Data quality metrics extracted from 9dbd.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": "7365b4912b4b20f6b4db1d28af4030b9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.04,
    "b": 46.04,
    "c": 46.10,
    "alpha": 104.250,
    "beta": 104.339,
    "gamma": 104.167
  },
  "wavelengths": [0.97741],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.22,2.60],
    "number_observations_unique": 18980,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05211
      },
      {
        "type": "R(meas)",
        "value": 0.06271
      },
      {
        "type": "R(pim)",
        "value": 0.03422
      },
      {
        "type": "I/SigI",
        "value": 14.14
      },
      {
        "type": "Completeness",
        "value": 95.08
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.693,2.60],
      "number_observations_unique": 2992,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5293
        },
        {
          "type": "R(meas)",
          "value": 0.6483
        },
        {
          "type": "R(pim)",
          "value": 0.3662
        },
        {
          "type": "I/SigI",
          "value": 2.19
        },
        {
          "type": "Completeness",
          "value": 94.64
        },
        {
          "type": "Redundancy",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.709
        }
      ]
    }
  ]

}
  

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


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