Data quality metrics extracted from 8rqc.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": "73ba9d285c39f2abde2aa3a887d3f637",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 53.585,
    "b": 142.842,
    "c": 56.693,
    "alpha": 90.000,
    "beta": 112.341,
    "gamma": 90.000
  },
  "wavelengths": [0.95700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.44,2.15],
    "number_observations_unique": 42776,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2004
      },
      {
        "type": "R(meas)",
        "value": 0.2162
      },
      {
        "type": "R(pim)",
        "value": 0.08074
      },
      {
        "type": "I/SigI",
        "value": 6.12
      },
      {
        "type": "Completeness",
        "value": 97.56
      },
      {
        "type": "Redundancy",
        "value": 7.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.227,2.15],
      "number_observations_unique": 4266,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.696
        },
        {
          "type": "R(meas)",
          "value": 3.984
        },
        {
          "type": "R(pim)",
          "value": 1.477
        },
        {
          "type": "I/SigI",
          "value": 0.32
        },
        {
          "type": "Completeness",
          "value": 80.10
        },
        {
          "type": "Redundancy",
          "value": 7.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.343
        }
      ]
    }
  ]

}
  

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


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