Data quality metrics extracted from 6m8r.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": "f1b746ece710a200caeff00fe7848971",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 91.964,
    "b": 64.945,
    "c": 114.137,
    "alpha": 90.00,
    "beta": 99.79,
    "gamma": 90.00
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.2],
    "number_observations_unique": 22162,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.332
      },
      {
        "type": "R(meas)",
        "value": 0.394
      },
      {
        "type": "R(pim)",
        "value": 0.208
      },
      {
        "type": "I/SigI",
        "value": 3.4
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.926
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.26,3.2],
      "number_observations_unique": 1073,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.997
        },
        {
          "type": "R(meas)",
          "value": 1.226
        },
        {
          "type": "R(pim)",
          "value": 0.703
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Completeness",
          "value": 96.7
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.561
        }
      ]
    }
  ]

}
  

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


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