Data quality metrics extracted from 6n2h.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": "275e4d85d9a789562ac6633443ba1d33",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 133.74,
    "b": 52.28,
    "c": 86.70,
    "alpha": 90.0,
    "beta": 127.6,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.88,1.72],
    "number_observations_unique": 50643,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1628
      },
      {
        "type": "R(meas)",
        "value": 0.1763
      },
      {
        "type": "R(pim)",
        "value": 0.06693
      },
      {
        "type": "I/SigI",
        "value": 6.92
      },
      {
        "type": "Completeness",
        "value": 99.94
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.782,1.72],
      "number_observations_unique": 5022,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.555
        },
        {
          "type": "R(meas)",
          "value": 2.764
        },
        {
          "type": "R(pim)",
          "value": 1.044
        },
        {
          "type": "I/SigI",
          "value": 0.83
        },
        {
          "type": "Completeness",
          "value": 99.82
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.247
        }
      ]
    }
  ]

}
  

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


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