Data quality metrics extracted from 8acs.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": "11d1984790fca2f9f0670f66eda3ff5c",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 142.302,
    "b": 316.361,
    "c": 65.647,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.34024],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.50],
    "number_observations_unique": 92245,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09469
      },
      {
        "type": "R(meas)",
        "value": 0.09841
      },
      {
        "type": "R(pim)",
        "value": 0.02649
      },
      {
        "type": "I/SigI",
        "value": 20.01
      },
      {
        "type": "Completeness",
        "value": 88.98
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.591,2.5],
      "number_observations_unique": 10156,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7708
        },
        {
          "type": "R(meas)",
          "value": 0.8006
        },
        {
          "type": "R(pim)",
          "value": 0.2143
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 13.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    }
  ]

}
  

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


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