Data quality metrics extracted from 8exd.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": "c949b45b44cebc10e9a6d37e04493b23",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 107.731,
    "b": 112.792,
    "c": 139.102,
    "alpha": 90.0,
    "beta": 102.3,
    "gamma": 90.0
  },
  "wavelengths": [1.03310],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [76.950,3.800],
    "number_observations_unique": 32036,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.123
      },
      {
        "type": "I/SigI",
        "value": 7.7
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 7.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.010,3.800],
      "number_observations_unique": 4666,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.840
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.000
        }
      ]
    },
    {
      "resolution_limits": [76.950,12.020],
      "number_observations_unique": 1064,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 6.900
        }
      ]
    }
  ]

}
  

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


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