Data quality metrics extracted from 5oyo.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": "95c75faa9bda0a7a50f69ad99cb940cf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.589,
    "b": 41.417,
    "c": 76.523,
    "alpha": 104.29,
    "beta": 90.07,
    "gamma": 90.67
  },
  "wavelengths": [0.96773],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.13,1.93],
    "number_observations_unique": 33346,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "R(pim)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 6.8
      },
      {
        "type": "Completeness",
        "value": 94.2
      },
      {
        "type": "Redundancy",
        "value": 2.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.93],
      "number_observations_unique": 2851,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.586
        },
        {
          "type": "R(pim)",
          "value": 0.572
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 81.4
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    }
  ]

}
  

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


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