Data quality metrics extracted from 8s3c.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": "6520ccee59224a22edfb04da7779f62d",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 95.651,
    "b": 164.554,
    "c": 195.412,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.83,2.20],
    "number_observations_unique": 77892,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "R(meas)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 20.68
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 13.29
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.34,2.20],
      "number_observations_unique": 12395,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.764
        },
        {
          "type": "R(meas)",
          "value": 1.836
        },
        {
          "type": "I/SigI",
          "value": 1.63
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "Redundancy",
          "value": 13.05
        },
        {
          "type": "CC(1/2)",
          "value": 0.665
        }
      ]
    }
  ]

}
  

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


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