Data quality metrics extracted from 6s26.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": "5b7a2e3056c65f74051dc3e5770432c2",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 93.776,
    "b": 116.478,
    "c": 35.845,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.5220,1.94],
    "number_observations_unique": 25309,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.135
      },
      {
        "type": "R(meas)",
        "value": 0.1456
      },
      {
        "type": "I/SigI",
        "value": 11.40
      },
      {
        "type": "Completeness",
        "value": 99.17
      },
      {
        "type": "Redundancy",
        "value": 7.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.123,2.050],
      "number_observations_unique": 2506,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.555
        },
        {
          "type": "R(meas)",
          "value": 1.673
        },
        {
          "type": "I/SigI",
          "value": 1.21
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 7.3
        }
      ]
    }
  ]

}
  

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


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