Data quality metrics extracted from 7q0h.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": "255b1d5f05be936abf65b0d49694fdae",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 102.207,
    "b": 42.472,
    "c": 138.406,
    "alpha": 90.000,
    "beta": 99.935,
    "gamma": 90.000
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [89,3.65],
    "number_observations_unique": 13577,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.550
      },
      {
        "type": "R(pim)",
        "value": 0.226
      },
      {
        "type": "I/SigI",
        "value": 3.7
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.950
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.71,3.65],
      "number_observations_unique": 655,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.434
        }
      ]
    }
  ]

}
  

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


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