Data quality metrics extracted from 7q7f.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": "b9e583ad6836006b5579771bf9e7a49d",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 102.50,
    "b": 102.50,
    "c": 237.84,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.47700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.07,2.75],
    "number_observations_unique": 33826,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.414
      },
      {
        "type": "R(meas)",
        "value": 0.435
      },
      {
        "type": "R(pim)",
        "value": 0.128
      },
      {
        "type": "I/SigI",
        "value": 5.13
      },
      {
        "type": "Completeness",
        "value": 99.77
      },
      {
        "type": "Redundancy",
        "value": 10.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.976
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.848,2.75],
      "number_observations_unique": 3326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.351
        },
        {
          "type": "R(meas)",
          "value": 2.475
        },
        {
          "type": "R(pim)",
          "value": 0.751
        },
        {
          "type": "I/SigI",
          "value": 1.02
        },
        {
          "type": "Completeness",
          "value": 99.61
        },
        {
          "type": "Redundancy",
          "value": 9.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.355
        }
      ]
    }
  ]

}
  

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


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