Data quality metrics extracted from 6xpr.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": "c11b43c2df24c0dea6827349b5cf2fd9",
  "space_group_name": "P 3 2 1",
  "unit_cell": {
    "a": 204.49,
    "b": 204.49,
    "c": 132.49,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.12,4.092],
    "number_observations_unique": 25192,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.3059
      },
      {
        "type": "R(meas)",
        "value": 0.3614
      },
      {
        "type": "R(pim)",
        "value": 0.1897
      },
      {
        "type": "I/SigI",
        "value": 4.53
      },
      {
        "type": "Completeness",
        "value": 98.41
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.965
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.238,4.092],
      "number_observations_unique": 8466,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.855
        },
        {
          "type": "R(meas)",
          "value": 1.012
        },
        {
          "type": "R(pim)",
          "value": 0.5332
        },
        {
          "type": "I/SigI",
          "value": 1.60
        },
        {
          "type": "Completeness",
          "value": 98.07
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.776
        }
      ]
    }
  ]

}
  

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


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