Data quality metrics extracted from 6ss7.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": "431035d13b0079a8aea8bf4228673098",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 117.56,
    "b": 169.25,
    "c": 49.07,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [84.62,2.36],
    "number_observations_unique": 41105,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.248
      },
      {
        "type": "R(meas)",
        "value": 0.288
      },
      {
        "type": "R(pim)",
        "value": 0.145
      },
      {
        "type": "I/SigI",
        "value": 6.3
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.42,2.36],
      "number_observations_unique": 2956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.713
        },
        {
          "type": "R(meas)",
          "value": 1.982
        },
        {
          "type": "R(pim)",
          "value": 0.988
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 7.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.484
        }
      ]
    }
  ]

}
  

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


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