Data quality metrics extracted from 6oq1.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": "7485e6514694cc1648f3bf1427b9ff8a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 41.81,
    "b": 44.78,
    "c": 115.39,
    "alpha": 90.00,
    "beta": 90.21,
    "gamma": 90.00
  },
  "wavelengths": [0.97921],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57.690,2.200],
    "number_observations": 95721,
    "number_observations_unique": 22008,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.180
      },
      {
        "type": "R(meas)",
        "value": 0.206
      },
      {
        "type": "R(pim)",
        "value": 0.098
      },
      {
        "type": "I/SigI",
        "value": 5.300
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 4.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.270,2.200],
      "number_observations_unique": 1881,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.265
        }
      ]
    }
  ]

}
  

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


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