Data quality metrics extracted from 8j1g.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": "0f06666bd1c70858d6990dbdc05c9659",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 63.473,
    "b": 70.306,
    "c": 100.137,
    "alpha": 88.65,
    "beta": 72.53,
    "gamma": 86.53
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.8,2.50],
    "number_observations_unique": 56308,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "R(meas)",
        "value": 0.068
      },
      {
        "type": "R(pim)",
        "value": 0.026
      },
      {
        "type": "I/SigI",
        "value": 18.9
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.57,2.50],
      "number_observations": 31137,
      "number_observations_unique": 4614,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.200
        },
        {
          "type": "R(meas)",
          "value": 1.300
        },
        {
          "type": "R(pim)",
          "value": 0.495
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Redundancy",
          "value": 6.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.657
        }
      ]
    }
  ]

}
  

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


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