Data quality metrics extracted from 6b69.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": "e1e1da8c7c12569c31a200dc462307b2",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 78.86,
    "b": 96.31,
    "c": 113.56,
    "alpha": 90.00,
    "beta": 109.98,
    "gamma": 90.00
  },
  "wavelengths": [1.30000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.25,2.20],
    "number_observations_unique": 72804,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.3
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 1363.04
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.20],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 81.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.31
        }
      ]
    }
  ]

}
  

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


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