Data quality metrics extracted from 6d0u.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": "c36fba97a4a3e6ec339058af6dd3f8e8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 91.605,
    "b": 258.422,
    "c": 91.876,
    "alpha": 90.00,
    "beta": 90.54,
    "gamma": 90.00
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.25],
    "number_observations_unique": 64646,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.16
      },
      {
        "type": "R(pim)",
        "value": 0.09
      },
      {
        "type": "I/SigI",
        "value": 8.9
      },
      {
        "type": "Completeness",
        "value": 96.0
      },
      {
        "type": "Redundancy",
        "value": 4.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.35,3.25],
      "number_observations_unique": 5630,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.78
        },
        {
          "type": "R(pim)",
          "value": 0.43
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 93.0
        },
        {
          "type": "Redundancy",
          "value": 3.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.50
        }
      ]
    }
  ]

}
  

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


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