Data quality metrics extracted from 8c66.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": "3f2b56dfdc921b87aadb8a2029b514f4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 57.999,
    "b": 105.274,
    "c": 81.317,
    "alpha": 90.00,
    "beta": 109.77,
    "gamma": 90.00
  },
  "wavelengths": [1.34138],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.89,1.60],
    "number_observations_unique": 119233,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.157
      },
      {
        "type": "R(meas)",
        "value": 0.176
      },
      {
        "type": "R(pim)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 9.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [37.89,8.75],
      "number_observations_unique": 119233,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "R(pim)",
          "value": 0.034
        },
        {
          "type": "Redundancy",
          "value": 6.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.60],
      "number_observations_unique": 4355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.037
        },
        {
          "type": "R(meas)",
          "value": 1.221
        },
        {
          "type": "R(pim)",
          "value": 0.628
        },
        {
          "type": "Redundancy",
          "value": 5.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.592
        }
      ]
    }
  ]

}
  

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


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