Data quality metrics extracted from 6n87.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": "c5db736840207b860b7052ed7d13fb6b",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 71.567,
    "b": 37.755,
    "c": 142.176,
    "alpha": 90.00,
    "beta": 94.13,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.79,1.588],
    "number_observations_unique": 51482,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 8.62
      },
      {
        "type": "Completeness",
        "value": 99.57
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.644,1.588],
      "number_observations_unique": 4902,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.569
        },
        {
          "type": "CC(1/2)",
          "value": 0.493
        }
      ]
    }
  ]

}
  

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


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