Data quality metrics extracted from 8pyx.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": "8b4dac28459c402cbf38cf7c837f9a35",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 82.167,
    "b": 96.159,
    "c": 87.323,
    "alpha": 90.00,
    "beta": 117.74,
    "gamma": 90.00
  },
  "wavelengths": [0.95881],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.35,2.02],
    "number_observations_unique": 78528,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12
      },
      {
        "type": "R(pim)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 11.6
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.06,2.02],
      "number_observations_unique": 3766,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.05
        },
        {
          "type": "R(pim)",
          "value": 0.55
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.80
        }
      ]
    }
  ]

}
  

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


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