Data quality metrics extracted from 7al4.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": "d8bf2abaa2f1f385545af27b82a0c26e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 115.919,
    "b": 92.453,
    "c": 156.688,
    "alpha": 90.00,
    "beta": 95.12,
    "gamma": 90.00
  },
  "wavelengths": [0.99800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.10,3.000],
    "number_observations_unique": 39983,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.245
      },
      {
        "type": "I/SigI",
        "value": 5.5
      },
      {
        "type": "Completeness",
        "value": 60.2
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.041,3.000],
      "number_observations_unique": 567,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 7.993
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 14.1
        },
        {
          "type": "Redundancy",
          "value": 5.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.028
        }
      ]
    }
  ]

}
  

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


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