Data quality metrics extracted from 6xaw.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": "41737bb03f0c4557a23c81f733c0b1cd",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 56.77,
    "b": 56.77,
    "c": 63.90,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.99,1.840],
    "number_observations_unique": 17236,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.174
      },
      {
        "type": "R(pim)",
        "value": 0.049
      },
      {
        "type": "I/SigI",
        "value": 16.400
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 12.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.870,1.840],
      "number_observations": 5739,
      "number_observations_unique": 449,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 2.656
        },
        {
          "type": "R(pim)",
          "value": 0.739
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 12.800
        }
      ]
    },
    {
      "resolution_limits": [34.000,4.990],
      "number_observations": 6172,
      "number_observations_unique": 562,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "R(pim)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 46.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.000
        }
      ]
    }
  ]

}
  

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


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