Data quality metrics extracted from 5c8i.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": "c631cb8b583fc8de9aea66ad759e3c85",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.893,
    "b": 41.763,
    "c": 72.949,
    "alpha": 90.00,
    "beta": 104.59,
    "gamma": 90.00
  },
  "wavelengths": [1.54000,2.80000,4.50000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.06,1.55],
    "number_observations_unique": 35839,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08400
      },
      {
        "type": "I/SigI",
        "value": 16.0500
      },
      {
        "type": "Completeness",
        "value": 92.3
      },
      {
        "type": "Redundancy",
        "value": 4.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.56],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3820
        },
        {
          "type": "I/SigI",
          "value": 5.390
        },
        {
          "type": "Completeness",
          "value": 83.4
        },
        {
          "type": "Redundancy",
          "value": 4.30
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.19],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29600
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 66.0
        },
        {
          "type": "Redundancy",
          "value": 3.50
        }
      ]
    }
  ]

}
  

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


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