Data quality metrics extracted from 8bad.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": "6fdd396c039a56db839e6105bdd5ab3f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 133.827,
    "b": 63.853,
    "c": 107.292,
    "alpha": 90.0,
    "beta": 120.4,
    "gamma": 90.0
  },
  "wavelengths": [0.97628],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57.730,1.810],
    "number_observations_unique": 71433,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.128
      },
      {
        "type": "R(pim)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 11.800
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 7.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.840,1.810],
      "number_observations": 23361,
      "number_observations_unique": 3495,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 2.654
        },
        {
          "type": "R(pim)",
          "value": 1.020
        },
        {
          "type": "I/SigI",
          "value": 0.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.700
        }
      ]
    },
    {
      "resolution_limits": [57.760,4.910],
      "number_observations": 25947,
      "number_observations_unique": 3689,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 56.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.000
        }
      ]
    }
  ]

}
  

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


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