Data quality metrics extracted from 6v8e.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": "80c9b9d3fa8f3e582d595952c1d0e73d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 69.47,
    "b": 64.91,
    "c": 99.03,
    "alpha": 90.00,
    "beta": 106.33,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.90,2.53],
    "number_observations_unique": 28508,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1427
      },
      {
        "type": "R(meas)",
        "value": 0.1608
      },
      {
        "type": "R(pim)",
        "value": 0.07334
      },
      {
        "type": "I/SigI",
        "value": 9.50
      },
      {
        "type": "Completeness",
        "value": 99.83
      },
      {
        "type": "Redundancy",
        "value": 4.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.62,2.53],
      "number_observations_unique": 2836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8023
        },
        {
          "type": "R(meas)",
          "value": 0.9033
        },
        {
          "type": "R(pim)",
          "value": 0.4106
        },
        {
          "type": "I/SigI",
          "value": 2.16
        },
        {
          "type": "Completeness",
          "value": 99.89
        },
        {
          "type": "Redundancy",
          "value": 4.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.729
        }
      ]
    }
  ]

}
  

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


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