Data quality metrics extracted from 5t7h.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": "a95d4847b5e8e9e5f9f8c0c724fab4ff",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.351,
    "b": 56.122,
    "c": 56.127,
    "alpha": 75.65,
    "beta": 63.37,
    "gamma": 63.36
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.150,2.003],
    "number_observations_unique": 31532,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03500
      },
      {
        "type": "I/SigI",
        "value": 11.9000
      },
      {
        "type": "Completeness",
        "value": 95.8
      },
      {
        "type": "Redundancy",
        "value": 1.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.08,2.003],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.30400
        },
        {
          "type": "I/SigI",
          "value": 2.260
        },
        {
          "type": "Completeness",
          "value": 90.3
        },
        {
          "type": "Redundancy",
          "value": 1.70
        }
      ]
    }
  ]

}
  

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


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