Data quality metrics extracted from 6z6i.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": "1c07591e93c213b0b89639d1cafefb89",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 59.816,
    "b": 83.096,
    "c": 84.363,
    "alpha": 90.00,
    "beta": 94.51,
    "gamma": 90.00
  },
  "wavelengths": [0.97623],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [83.100,2.000],
    "number_observations": 208136,
    "number_observations_unique": 55826,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.299
      },
      {
        "type": "R(meas)",
        "value": 0.348
      },
      {
        "type": "R(pim)",
        "value": 0.176
      },
      {
        "type": "I/SigI",
        "value": 2.600
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 3.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.966
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.050,2.000],
      "number_observations": 15055,
      "number_observations_unique": 4077,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.462
        },
        {
          "type": "R(meas)",
          "value": 1.706
        },
        {
          "type": "R(pim)",
          "value": 0.868
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.533
        }
      ]
    },
    {
      "resolution_limits": [83.100,8.940],
      "number_observations": 2522,
      "number_observations_unique": 668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "R(meas)",
          "value": 0.080
        },
        {
          "type": "R(pim)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 6.100
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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