Data quality metrics extracted from 7q7e.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": "cfaa9cb765e4298054e9cb653f7476dc",
  "space_group_name": "P 41 2 2",
  "unit_cell": {
    "a": 84.24,
    "b": 84.24,
    "c": 117.26,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.47700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.12,2.85],
    "number_observations_unique": 9542,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.350
      },
      {
        "type": "R(meas)",
        "value": 0.359
      },
      {
        "type": "R(pim)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 9.44
      },
      {
        "type": "Completeness",
        "value": 91.75
      },
      {
        "type": "Redundancy",
        "value": 20.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.952,2.85],
      "number_observations_unique": 930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.753
        },
        {
          "type": "R(meas)",
          "value": 3.845
        },
        {
          "type": "R(pim)",
          "value": 0.812
        },
        {
          "type": "I/SigI",
          "value": 1.10
        },
        {
          "type": "Completeness",
          "value": 92.90
        },
        {
          "type": "Redundancy",
          "value": 21.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.336
        }
      ]
    }
  ]

}
  

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


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