Data quality metrics extracted from 8b8d.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": "1fc8c9abd9c7c803e1f9b69d637b1ca6",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 81.824,
    "b": 82.499,
    "c": 89.057,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97857,0.98919],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49,2.40],
    "number_observations_unique": 24108,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "R(pim)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 11.4
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.46,2.40],
      "number_observations_unique": 1742,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 13.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.620
        }
      ]
    },
    {
      "resolution_limits": [2.87,2.79],
      "number_observations_unique": 988,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.3
        },
        {
          "type": "Redundancy",
          "value": 10.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.657
        }
      ]
    }
  ]

}
  

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


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