Data quality metrics extracted from 6apw.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": "efc2a5e71f0362e4d28c22917350fd00",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 94.454,
    "b": 94.454,
    "c": 130.978,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95374],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.76,2.614],
    "number_observations_unique": 18559,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.065
      },
      {
        "type": "R(pim)",
        "value": 0.013
      },
      {
        "type": "I/SigI",
        "value": 38.43
      },
      {
        "type": "Completeness",
        "value": 99.79
      },
      {
        "type": "Redundancy",
        "value": 26.3
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.708,2.614],
      "number_observations_unique": 1788,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.849
        },
        {
          "type": "R(pim)",
          "value": 0.1675
        },
        {
          "type": "I/SigI",
          "value": 4.37
        },
        {
          "type": "Completeness",
          "value": 98.51
        },
        {
          "type": "Redundancy",
          "value": 25.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.948
        }
      ]
    }
  ]

}
  

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


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