Data quality metrics extracted from 5ewq.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": "f7d48d3e6c3fbb7a16ade93fe882deac",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 77.390,
    "b": 89.558,
    "c": 89.600,
    "alpha": 112.03,
    "beta": 106.64,
    "gamma": 106.55
  },
  "wavelengths": [0.97937,0.97951],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.5,2.57],
    "number_observations_unique": 59854,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.015
      },
      {
        "type": "I/SigI",
        "value": 27.3
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 2.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.61,2.57],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.729
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 2.3
        }
      ]
    }
  ]

}
  

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


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