Data quality metrics extracted from 8x29.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": "71d28e246527a4f5a210b287ca83c773",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.151,
    "b": 108.495,
    "c": 133.192,
    "alpha": 90.000,
    "beta": 99.789,
    "gamma": 90.000
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.60],
    "number_observations_unique": 66519,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.167
      },
      {
        "type": "I/SigI",
        "value": 9.291
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 4.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.69,2.60],
      "number_observations_unique": 6680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.074
        }
      ]
    }
  ]

}
  

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


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