Data quality metrics extracted from 9rcs.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "a41530e9ec1d39898bf08a3092e3ed07",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 70.010,
    "b": 78.795,
    "c": 82.339,
    "alpha": 90.000,
    "beta": 88.639,
    "gamma": 90.000
  },
  "wavelengths": [0.62000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [82.332,3.012],
    "number_observations_unique": 8711,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.196
      },
      {
        "type": "R(meas)",
        "value": 0.214
      },
      {
        "type": "R(pim)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 5.4
      },
      {
        "type": "Completeness",
        "value": 48.5
      },
      {
        "type": "Redundancy",
        "value": 6.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.388,3.012],
      "number_observations_unique": 439,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.259
        },
        {
          "type": "R(meas)",
          "value": 1.370
        },
        {
          "type": "R(pim)",
          "value": 0.537
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 8.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.583
        }
      ]
    }
  ]

}
  

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


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