Data quality metrics extracted from 6y9d.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": "6d3d0b6e4437d668d83b6732dfad1acb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 91.59,
    "b": 177.77,
    "c": 158.80,
    "alpha": 90.00,
    "beta": 90.17,
    "gamma": 90.00
  },
  "wavelengths": [1.30000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [81.42,1.97],
    "number_observations_unique": 353116,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1489
      },
      {
        "type": "R(meas)",
        "value": 0.1778
      },
      {
        "type": "R(pim)",
        "value": 0.09601
      },
      {
        "type": "I/SigI",
        "value": 5.18
      },
      {
        "type": "Completeness",
        "value": 98.82
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.984
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.04,1.97],
      "number_observations_unique": 35196,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9578
        },
        {
          "type": "R(meas)",
          "value": 1.168
        },
        {
          "type": "R(pim)",
          "value": 0.6599
        },
        {
          "type": "I/SigI",
          "value": 1.21
        },
        {
          "type": "Completeness",
          "value": 98.47
        },
        {
          "type": "Redundancy",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.638
        }
      ]
    }
  ]

}
  

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


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