Data quality metrics extracted from 9y58.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "e2bc7f84d6148d983e95d81cdbcf6821",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 84.325,
    "b": 84.325,
    "c": 83.162,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03317],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.71,2.25],
    "number_observations_unique": 27154,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05145
      },
      {
        "type": "R(meas)",
        "value": 0.05369
      },
      {
        "type": "R(pim)",
        "value": 0.01525
      },
      {
        "type": "I/SigI",
        "value": 21.11
      },
      {
        "type": "Completeness",
        "value": 99.90
      },
      {
        "type": "Redundancy",
        "value": 12.4
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.33,2.25],
      "number_observations_unique": 34749,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.548
        },
        {
          "type": "R(meas)",
          "value": 2.654
        },
        {
          "type": "Completeness",
          "value": 99.74
        },
        {
          "type": "Redundancy",
          "value": 12.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.553
        }
      ]
    }
  ]

}
  

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


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