Data quality metrics extracted from 9dyq.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": "e0ff76b16886eadc816e7a7a1da8de5b",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 83.942,
    "b": 109.760,
    "c": 59.100,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.04,2.05],
    "number_observations_unique": 35165,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1606
      },
      {
        "type": "R(meas)",
        "value": 0.1682
      },
      {
        "type": "R(pim)",
        "value": 0.04852
      },
      {
        "type": "I/SigI",
        "value": 6.62
      },
      {
        "type": "Completeness",
        "value": 97.51
      },
      {
        "type": "Redundancy",
        "value": 12.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.123,2.05],
      "number_observations_unique": 3423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.364
        },
        {
          "type": "R(meas)",
          "value": 3.523
        },
        {
          "type": "R(pim)",
          "value": 1.021
        },
        {
          "type": "I/SigI",
          "value": 0.69
        },
        {
          "type": "Completeness",
          "value": 97.29
        },
        {
          "type": "Redundancy",
          "value": 12.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.763
        }
      ]
    }
  ]

}
  

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


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