Data quality metrics extracted from 7r5p.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": "99df1a66489722d59b6342aef38e49cd",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.575,
    "b": 77.996,
    "c": 115.225,
    "alpha": 90.00,
    "beta": 95.83,
    "gamma": 90.00
  },
  "wavelengths": [0.98011],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49,1.68],
    "number_observations_unique": 92927,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 11.4
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.68],
      "number_observations_unique": 4342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.738
        },
        {
          "type": "CC(1/2)",
          "value": 0.725
        }
      ]
    }
  ]

}
  

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


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