Data quality metrics extracted from 6q8i.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": "a11d23dbd6e718243a827fd3b1010405",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 127.983,
    "b": 68.163,
    "c": 145.296,
    "alpha": 90.0,
    "beta": 109.4,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49,3.17],
    "number_observations_unique": 39441,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.144
      },
      {
        "type": "I/SigI",
        "value": 6.9
      },
      {
        "type": "Completeness",
        "value": 94.3
      },
      {
        "type": "Redundancy",
        "value": 2.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.25,3.17],
      "number_observations_unique": 2828,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.146
        },
        {
          "type": "I/SigI",
          "value": 1.14
        },
        {
          "type": "Completeness",
          "value": 97.2
        },
        {
          "type": "Redundancy",
          "value": 2.5
        }
      ]
    }
  ]

}
  

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


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