Data quality metrics extracted from 6xz1.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": "698c00209db05c57e10b1bfdb1cb38de",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 140.552,
    "b": 142.171,
    "c": 103.512,
    "alpha": 90.00,
    "beta": 129.61,
    "gamma": 90.00
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [79.7520,2.3],
    "number_observations_unique": 135622,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.169
      },
      {
        "type": "R(meas)",
        "value": 0.1879
      },
      {
        "type": "R(pim)",
        "value": 0.08074
      },
      {
        "type": "I/SigI",
        "value": 7.14
      },
      {
        "type": "Completeness",
        "value": 99.68
      },
      {
        "type": "Redundancy",
        "value": 5.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.382,2.3],
      "number_observations_unique": 6927,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.9056
        },
        {
          "type": "I/SigI",
          "value": 0.84
        },
        {
          "type": "Completeness",
          "value": 99.65
        },
        {
          "type": "Redundancy",
          "value": 5.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.482
        }
      ]
    }
  ]

}
  

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


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