Data quality metrics extracted from 5cc4.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": "a47d049997192d8ed8360ace86a849d7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 31.108,
    "b": 60.399,
    "c": 38.013,
    "alpha": 90.00,
    "beta": 94.41,
    "gamma": 90.00
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.9],
    "number_observations": 156506,
    "number_observations_unique": 11137,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0274
      },
      {
        "type": "I/SigI",
        "value": 25.61
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 12.67
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.9],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1510
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 8.04
        }
      ]
    }
  ]

}
  

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


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