Data quality metrics extracted from 8f84.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": "ffd69e3713b5784f0efdac6574bd9d94",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 28.698,
    "b": 66.374,
    "c": 44.146,
    "alpha": 90.00,
    "beta": 91.44,
    "gamma": 90.00
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.13,1.10],
    "number_observations": 433825,
    "number_observations_unique": 65812,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.024
      },
      {
        "type": "R(meas)",
        "value": 0.026
      },
      {
        "type": "R(pim)",
        "value": 0.010
      },
      {
        "type": "I/SigI",
        "value": 30.2
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.12,1.10],
      "number_observations": 10791,
      "number_observations_unique": 2486,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.236
        },
        {
          "type": "R(meas)",
          "value": 0.269
        },
        {
          "type": "R(pim)",
          "value": 0.125
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Redundancy",
          "value": 4.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.954
        }
      ]
    }
  ]

}
  

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


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