Data quality metrics extracted from 5m39.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": "074fc576919d2581dbaff6f1970cf45f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 30.379,
    "b": 39.506,
    "c": 57.972,
    "alpha": 99.71,
    "beta": 105.05,
    "gamma": 89.90
  },
  "wavelengths": [0.90002],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.90,1.377],
    "number_observations_unique": 47067,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 8.9
      },
      {
        "type": "Completeness",
        "value": 88.6
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.381,1.377],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.318
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 87.6
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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


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