Data quality metrics extracted from 8ay7.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": "c7860189f10250f43c6f89d3ec2945c4",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 42.821,
    "b": 62.724,
    "c": 186.948,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.21,2.131],
    "number_observations_unique": 28817,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1141
      },
      {
        "type": "R(meas)",
        "value": 0.1255
      },
      {
        "type": "I/SigI",
        "value": 7.37
      },
      {
        "type": "Completeness",
        "value": 98.91
      },
      {
        "type": "Redundancy",
        "value": 5.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.207,2.131],
      "number_observations_unique": 2638,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.306
        },
        {
          "type": "R(meas)",
          "value": 1.443
        },
        {
          "type": "I/SigI",
          "value": 0.92
        },
        {
          "type": "Completeness",
          "value": 92.98
        },
        {
          "type": "Redundancy",
          "value": 5.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.695
        }
      ]
    }
  ]

}
  

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


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