Data quality metrics extracted from 6hjx.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": "0ebc1f2cec611fa7c83d336fa9676c4a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 96.251,
    "b": 156.277,
    "c": 102.496,
    "alpha": 90.00,
    "beta": 102.88,
    "gamma": 90.00
  },
  "wavelengths": [0.91958],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.84,2.50],
    "number_observations_unique": 101800,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "R(meas)",
        "value": 0.079
      },
      {
        "type": "R(pim)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 14.8
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.64,2.50],
      "number_observations_unique": 14853,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.948
        },
        {
          "type": "R(meas)",
          "value": 1.128
        },
        {
          "type": "R(pim)",
          "value": 0.607
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.475
        }
      ]
    }
  ]

}
  

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


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