Data quality metrics extracted from 6ux9.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": "f7eb8e074882adadf07579cc0e5b735a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.23,
    "b": 88.58,
    "c": 105.78,
    "alpha": 90.00,
    "beta": 92.91,
    "gamma": 90.00
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.370,1.710],
    "number_observations": 291606,
    "number_observations_unique": 86013,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.048
      },
      {
        "type": "R(pim)",
        "value": 0.026
      },
      {
        "type": "I/SigI",
        "value": 12.400
      },
      {
        "type": "Completeness",
        "value": 97.800
      },
      {
        "type": "Redundancy",
        "value": 3.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.740,1.710],
      "number_observations": 14742,
      "number_observations_unique": 4252,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.336
        },
        {
          "type": "R(pim)",
          "value": 0.703
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 3.500
        }
      ]
    },
    {
      "resolution_limits": [45.380,4.640],
      "number_observations": 14593,
      "number_observations_unique": 4334,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 32.000
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 3.400
        }
      ]
    }
  ]

}
  

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


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