Data quality metrics extracted from 5l7i.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": "86f5eea28e3127bb87e59560d0759b54",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.82,
    "b": 71.29,
    "c": 107.02,
    "alpha": 91.53,
    "beta": 98.20,
    "gamma": 105.92
  },
  "wavelengths": [0.96860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [68,3.3],
    "number_observations_unique": 21097,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.152
      },
      {
        "type": "I/SigI",
        "value": 3.7
      },
      {
        "type": "Completeness",
        "value": 94.7
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.953
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.39,3.3],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Completeness",
          "value": 85.8
        },
        {
          "type": "Redundancy",
          "value": 1.7
        }
      ]
    }
  ]

}
  

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


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