Data quality metrics extracted from 6dou.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": "7ec22d42d3051855f353573bf3a1fa20",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 81.541,
    "b": 37.383,
    "c": 62.437,
    "alpha": 90.00,
    "beta": 96.57,
    "gamma": 90.00
  },
  "wavelengths": [0.80000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.940,1.490],
    "number_observations": 57072,
    "number_observations_unique": 29596,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.021
      },
      {
        "type": "R(meas)",
        "value": 0.029
      },
      {
        "type": "R(pim)",
        "value": 0.021
      },
      {
        "type": "I/SigI",
        "value": 17.800
      },
      {
        "type": "Completeness",
        "value": 95.800
      },
      {
        "type": "Redundancy",
        "value": 1.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.510,1.490],
      "number_observations_unique": 1019,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.636
        },
        {
          "type": "R(meas)",
          "value": 0.900
        },
        {
          "type": "R(pim)",
          "value": 0.636
        },
        {
          "type": "Completeness",
          "value": 67.500
        },
        {
          "type": "Redundancy",
          "value": 1.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.280
        }
      ]
    },
    {
      "resolution_limits": [19.940,8.150],
      "number_observations_unique": 171,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.013
        },
        {
          "type": "R(meas)",
          "value": 0.019
        },
        {
          "type": "R(pim)",
          "value": 0.013
        },
        {
          "type": "Completeness",
          "value": 83.800
        },
        {
          "type": "Redundancy",
          "value": 1.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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