Data quality metrics extracted from 6rce.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": "eca3613591f8bd938ce149d87f868ba5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 67.137,
    "b": 103.007,
    "c": 68.581,
    "alpha": 90.00,
    "beta": 91.01,
    "gamma": 90.00
  },
  "wavelengths": [0.99190],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69,1.946],
    "number_observations_unique": 57869,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "R(pim)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 10.2
      },
      {
        "type": "Completeness",
        "value": 89
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,1.946],
      "number_observations_unique": 2893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.946
        },
        {
          "type": "R(pim)",
          "value": 0.622
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 39.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.502
        }
      ]
    }
  ]

}
  

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


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