Data quality metrics extracted from 8hw8.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": "c5e14d4b4c7018c3f41774eca0d2a06c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.005,
    "b": 69.384,
    "c": 50.818,
    "alpha": 90.0,
    "beta": 105.2,
    "gamma": 90.0
  },
  "wavelengths": [0.97850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.650,1.570],
    "number_observations_unique": 43220,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06299
      },
      {
        "type": "I/SigI",
        "value": 15.0900
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 6.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.57],
      "number_observations_unique": 4267,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.59860
        },
        {
          "type": "I/SigI",
          "value": 2.210
        },
        {
          "type": "Completeness",
          "value": 98.0
        },
        {
          "type": "Redundancy",
          "value": 6.70
        }
      ]
    }
  ]

}
  

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


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