Data quality metrics extracted from 8ekv.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": "aa1f0fd9e8c91af2cea12ee32d254da6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.616,
    "b": 60.600,
    "c": 44.483,
    "alpha": 90.000,
    "beta": 116.202,
    "gamma": 90.000
  },
  "wavelengths": [0.97741],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.33,1.62],
    "number_observations_unique": 25338,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0335
      },
      {
        "type": "R(meas)",
        "value": 0.03934
      },
      {
        "type": "R(pim)",
        "value": 0.02029
      },
      {
        "type": "I/SigI",
        "value": 22.65
      },
      {
        "type": "Completeness",
        "value": 97.59
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.678,1.62],
      "number_observations_unique": 2511,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3323
        },
        {
          "type": "R(meas)",
          "value": 0.3839
        },
        {
          "type": "R(pim)",
          "value": 0.1901
        },
        {
          "type": "I/SigI",
          "value": 4.04
        },
        {
          "type": "Completeness",
          "value": 96.64
        },
        {
          "type": "Redundancy",
          "value": 4.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.950
        }
      ]
    }
  ]

}
  

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


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