Data quality metrics extracted from 8ftj.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": "d3174b29c29d83cc39139d580ff5f0b5",
  "space_group_name": "P 41 2 2",
  "unit_cell": {
    "a": 83.662,
    "b": 83.662,
    "c": 130.442,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97856],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.3],
    "number_observations_unique": 21210,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.23
      },
      {
        "type": "R(pim)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 16.1
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 15.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.980
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.34,2.30],
      "number_observations_unique": 1025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.51
        },
        {
          "type": "R(pim)",
          "value": 0.41
        },
        {
          "type": "I/SigI",
          "value": 1.94
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 14.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.74
        }
      ]
    }
  ]

}
  

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


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