Data quality metrics extracted from 5q0i.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": "11f9d0fe950bb10d5256d6b6ea0adbbb",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 35.648,
    "b": 54.952,
    "c": 108.801,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.3,1.70],
    "number_observations_unique": 23081,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0737
      },
      {
        "type": "I/SigI",
        "value": 10.75
      },
      {
        "type": "Completeness",
        "value": 94.8
      },
      {
        "type": "Redundancy",
        "value": 3.46
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.80,1.70],
      "number_observations_unique": 2825,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4387
        },
        {
          "type": "I/SigI",
          "value": 1.75
        },
        {
          "type": "Completeness",
          "value": 75.5
        },
        {
          "type": "Redundancy",
          "value": 1.45
        }
      ]
    }
  ]

}
  

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


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