Data quality metrics extracted from 6mbj.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": "e332de26bf42ade3b8f8d90db297319e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 60.351,
    "b": 176.168,
    "c": 66.577,
    "alpha": 90.00,
    "beta": 92.86,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.07,1.780],
    "number_observations_unique": 124387,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.164
      },
      {
        "type": "R(pim)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 14.5
      },
      {
        "type": "Completeness",
        "value": 94.5
      },
      {
        "type": "Redundancy",
        "value": 13.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.780],
      "number_observations_unique": 10380,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.436
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 78.9
        },
        {
          "type": "Redundancy",
          "value": 8.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.463
        }
      ]
    }
  ]

}
  

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


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