Data quality metrics extracted from 8r56.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": "e6907abf915215f7e4f3627ae9b84eb9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 62.524,
    "b": 194.726,
    "c": 117.654,
    "alpha": 90.00,
    "beta": 92.29,
    "gamma": 90.00
  },
  "wavelengths": [0.97624],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.99,2.45],
    "number_observations": 737059,
    "number_observations_unique": 102876,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.197
      },
      {
        "type": "R(meas)",
        "value": 0.212
      },
      {
        "type": "R(pim)",
        "value": 0.080
      },
      {
        "type": "I/SigI",
        "value": 9.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.45],
      "number_observations": 36181,
      "number_observations_unique": 5135,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.174
        },
        {
          "type": "R(meas)",
          "value": 1.267
        },
        {
          "type": "R(pim)",
          "value": 0.474
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.637
        }
      ]
    }
  ]

}
  

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


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