Data quality metrics extracted from 8p7a.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": "450613f4f6a7d745a4efa309b54c1fdf",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 105.61,
    "b": 190.24,
    "c": 58.72,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.56,2.56],
    "number_observations_unique": 38965,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2847
      },
      {
        "type": "R(meas)",
        "value": 0.2964
      },
      {
        "type": "R(pim)",
        "value": 0.08174
      },
      {
        "type": "I/SigI",
        "value": 9.52
      },
      {
        "type": "Completeness",
        "value": 52.87
      },
      {
        "type": "Redundancy",
        "value": 12.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.652,2.56],
      "number_observations_unique": 130,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.747
        },
        {
          "type": "R(meas)",
          "value": 4.952
        },
        {
          "type": "R(pim)",
          "value": 1.398
        },
        {
          "type": "I/SigI",
          "value": 0.51
        },
        {
          "type": "Completeness",
          "value": 3.39
        },
        {
          "type": "Redundancy",
          "value": 12.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.495
        }
      ]
    }
  ]

}
  

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


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