Data quality metrics extracted from 8a5x.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": "37c8340b66bbef86abb5e80b56f084ba",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.383,
    "b": 87.007,
    "c": 71.376,
    "alpha": 90.00,
    "beta": 107.78,
    "gamma": 90.00
  },
  "wavelengths": [1.54187],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.63,2.4],
    "number_observations_unique": 20410,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09953
      },
      {
        "type": "R(meas)",
        "value": 0.1164
      },
      {
        "type": "R(pim)",
        "value": 0.05996
      },
      {
        "type": "I/SigI",
        "value": 13.38
      },
      {
        "type": "Completeness",
        "value": 92.17
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.486,2.4],
      "number_observations_unique": 1863,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6079
        },
        {
          "type": "R(meas)",
          "value": 0.7059
        },
        {
          "type": "R(pim)",
          "value": 0.3578
        },
        {
          "type": "I/SigI",
          "value": 2.29
        },
        {
          "type": "Completeness",
          "value": 84.38
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.764
        }
      ]
    }
  ]

}
  

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


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