Data quality metrics extracted from 6xqx.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": "9c95187aba48f1f705554254bc62671b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.52,
    "b": 77.31,
    "c": 88.18,
    "alpha": 90.000,
    "beta": 91.623,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.50,2.15],
    "number_observations_unique": 31251,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.133
      },
      {
        "type": "I/SigI",
        "value": 7.07
      },
      {
        "type": "Completeness",
        "value": 95.6
      },
      {
        "type": "Redundancy",
        "value": 5.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.15],
      "number_observations_unique": 3231,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.389
        },
        {
          "type": "I/SigI",
          "value": 3.16
        },
        {
          "type": "Completeness",
          "value": 97.9
        },
        {
          "type": "Redundancy",
          "value": 5.8
        }
      ]
    }
  ]

}
  

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


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