Data quality metrics extracted from 6e7f.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": "ee3b92b94dc93bc86e3085e0ad50485e",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 95.66,
    "b": 109.36,
    "c": 73.60,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.89,2.5],
    "number_observations_unique": 27377,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08007
      },
      {
        "type": "R(meas)",
        "value": 0.08719
      },
      {
        "type": "R(pim)",
        "value": 0.03411
      },
      {
        "type": "I/SigI",
        "value": 18.76
      },
      {
        "type": "Completeness",
        "value": 99.96
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.589,2.5],
      "number_observations_unique": 2694,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3281
        },
        {
          "type": "R(meas)",
          "value": 0.362
        },
        {
          "type": "R(pim)",
          "value": 0.1499
        },
        {
          "type": "I/SigI",
          "value": 4.25
        },
        {
          "type": "Completeness",
          "value": 99.99
        },
        {
          "type": "Redundancy",
          "value": 5.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    }
  ]

}
  

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


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