Data quality metrics extracted from 7zij.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": "92543485dc41c52e239a789e7b0163e9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.050,
    "b": 57.650,
    "c": 69.481,
    "alpha": 90.000,
    "beta": 109.714,
    "gamma": 90.000
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.05,1.94678362883],
    "number_observations_unique": 25548,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0805
      },
      {
        "type": "I/SigI",
        "value": 10.41
      },
      {
        "type": "Completeness",
        "value": 98.89
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.95],
      "number_observations_unique": 2405,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6077
        }
      ]
    }
  ]

}
  

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


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