Data quality metrics extracted from 7llb.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": "5a74141008a0cbfe74c00d8bab9cc01d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 34.495,
    "b": 37.292,
    "c": 82.128,
    "alpha": 91.391,
    "beta": 90.372,
    "gamma": 93.789
  },
  "wavelengths": [0.99995],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.2,1.67],
    "number_observations_unique": 45834,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03083
      },
      {
        "type": "I/SigI",
        "value": 16.27
      },
      {
        "type": "Completeness",
        "value": 96.66
      },
      {
        "type": "Redundancy",
        "value": 2.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.67],
      "number_observations_unique": 4381,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08035
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    }
  ]

}
  

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


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