Data quality metrics extracted from 9mdd.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": "6cc6614bda23702ccce60e3f35faf169",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 128.30,
    "b": 51.71,
    "c": 60.09,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.53,1.25],
    "number_observations_unique": 73069,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08475
      },
      {
        "type": "I/SigI",
        "value": 9.44
      },
      {
        "type": "Completeness",
        "value": 99.45
      },
      {
        "type": "Redundancy",
        "value": 7.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.295,1.25],
      "number_observations_unique": 110154,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08475
        },
        {
          "type": "R(meas)",
          "value": 0.09122
        },
        {
          "type": "R(pim)",
          "value": 0.03329
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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