Data quality metrics extracted from 6brs.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": "ee4d15f2778535a47a80448b97da337e",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 81.531,
    "b": 127.369,
    "c": 132.200,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.62,2.30],
    "number_observations_unique": 61936,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.260
      },
      {
        "type": "R(pim)",
        "value": 0.049
      },
      {
        "type": "I/SigI",
        "value": 15.1
      },
      {
        "type": "Completeness",
        "value": 100.00
      },
      {
        "type": "Redundancy",
        "value": 29.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.36,2.30],
      "number_observations_unique": 4552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.014
        },
        {
          "type": "R(pim)",
          "value": 0.788
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 30.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.595
        }
      ]
    }
  ]

}
  

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


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