Data quality metrics extracted from 6rjr.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": "3557d1ced38e0e6a61ca85637e70488e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 96.67,
    "b": 131.62,
    "c": 176.67,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97922],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.98,1.895],
    "number_observations_unique": 764478,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1358
      },
      {
        "type": "R(meas)",
        "value": 0.1554
      },
      {
        "type": "R(pim)",
        "value": 0.0742
      },
      {
        "type": "I/SigI",
        "value": 8.68
      },
      {
        "type": "Completeness",
        "value": 98.92
      },
      {
        "type": "Redundancy",
        "value": 4.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.963,1.895],
      "number_observations_unique": 63907,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5339
        },
        {
          "type": "R(meas)",
          "value": 0.6153
        },
        {
          "type": "R(pim)",
          "value": 0.2999
        },
        {
          "type": "Completeness",
          "value": 91.62
        },
        {
          "type": "Redundancy",
          "value": 4.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.238
        }
      ]
    }
  ]

}
  

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


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