Data quality metrics extracted from 6nqq.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": "780b6ea27f47acb94d9a30b366e5a0be",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.837,
    "b": 86.375,
    "c": 143.590,
    "alpha": 90.00,
    "beta": 95.06,
    "gamma": 90.00
  },
  "wavelengths": [1.19500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.524,2.600],
    "number_observations_unique": 59806,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.120
      },
      {
        "type": "I/SigI",
        "value": 10.6000
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 7.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.67,2.60],
      "number_observations_unique": 4354,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.11
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 97.9
        },
        {
          "type": "Redundancy",
          "value": 6.80
        },
        {
          "type": "CC(1/2)",
          "value": 0.853
        }
      ]
    }
  ]

}
  

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


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