Data quality metrics extracted from 5sbj.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": "cc4090257768d2d2c8d6e432bf67f078",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 37.070,
    "b": 56.654,
    "c": 19.331,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.02,1.01],
    "number_observations_unique": 19836,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.123
      },
      {
        "type": "R(meas)",
        "value": 0.160
      },
      {
        "type": "I/SigI",
        "value": 3.95
      },
      {
        "type": "Completeness",
        "value": 95.7
      },
      {
        "type": "Redundancy",
        "value": 2.15
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.07,1.01],
      "number_observations_unique": 3171,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.07
        },
        {
          "type": "Completeness",
          "value": 94.4
        },
        {
          "type": "Redundancy",
          "value": 2.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.053
        }
      ]
    }
  ]

}
  

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


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