Data quality metrics extracted from 38kc.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": "9883c973b9d307660d7e480de0963ae4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.537,
    "b": 64.270,
    "c": 69.612,
    "alpha": 90.000,
    "beta": 96.321,
    "gamma": 90.000
  },
  "wavelengths": [0.91990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41,2.028],
    "number_observations_unique": 31732,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1985
      },
      {
        "type": "R(meas)",
        "value": 0.2212
      },
      {
        "type": "R(pim)",
        "value": 0.09568
      },
      {
        "type": "I/SigI",
        "value": 4.95
      },
      {
        "type": "Completeness",
        "value": 99.21
      },
      {
        "type": "Redundancy",
        "value": 5.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.09,2.03],
      "number_observations_unique": 2828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.438
        },
        {
          "type": "R(meas)",
          "value": 1.611
        },
        {
          "type": "R(pim)",
          "value": 0.7115
        },
        {
          "type": "I/SigI",
          "value": 0.88
        },
        {
          "type": "Completeness",
          "value": 94.31
        },
        {
          "type": "Redundancy",
          "value": 5.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.36
        }
      ]
    }
  ]

}
  

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


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