Data quality metrics extracted from 7jx6.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": "619f2a849f88e0137c66c95f7fe66bab",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 50.647,
    "b": 50.647,
    "c": 168.065,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.020,1.61],
    "number_observations_unique": 29522,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05651
      },
      {
        "type": "R(meas)",
        "value": 0.05875
      },
      {
        "type": "I/SigI",
        "value": 27.09
      },
      {
        "type": "Completeness",
        "value": 99.76
      },
      {
        "type": "Redundancy",
        "value": 13.4
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.668,1.610],
      "number_observations_unique": 2877,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.631
        },
        {
          "type": "R(meas)",
          "value": 1.696
        },
        {
          "type": "I/SigI",
          "value": 1.27
        },
        {
          "type": "Completeness",
          "value": 99.86
        },
        {
          "type": "Redundancy",
          "value": 13.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.762
        }
      ]
    }
  ]

}
  

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


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