Data quality metrics extracted from 9wta.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "f1a5c557200f9474ecbf63c7701a5e8a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 83.45,
    "b": 123.56,
    "c": 116.61,
    "alpha": 90.00,
    "beta": 92.15,
    "gamma": 90.00
  },
  "wavelengths": [0.97919],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.25,2.2],
    "number_observations_unique": 239254,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.8082
      },
      {
        "type": "I/SigI",
        "value": 17.58
      },
      {
        "type": "Completeness",
        "value": 99.93
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.279,2.2],
      "number_observations_unique": 23724,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.796
        }
      ]
    }
  ]

}
  

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


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