Data quality metrics extracted from 5skz.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": "4ca91f56667200fa45fa3b4ca702fcd2",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.681,
    "b": 68.153,
    "c": 138.486,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91788],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [138.490,1.960],
    "number_observations": 251714,
    "number_observations_unique": 46108,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.127
      },
      {
        "type": "R(meas)",
        "value": 0.140
      },
      {
        "type": "R(pim)",
        "value": 0.057
      },
      {
        "type": "I/SigI",
        "value": 9.300
      },
      {
        "type": "Completeness",
        "value": 98.600
      },
      {
        "type": "Redundancy",
        "value": 5.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.010,1.960],
      "number_observations": 6787,
      "number_observations_unique": 2848,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.243
        },
        {
          "type": "R(meas)",
          "value": 1.557
        },
        {
          "type": "R(pim)",
          "value": 0.919
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 88.500
        },
        {
          "type": "Redundancy",
          "value": 2.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.309
        }
      ]
    },
    {
      "resolution_limits": [138.490,8.980],
      "number_observations": 3307,
      "number_observations_unique": 584,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 41.800
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    }
  ]

}
  

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


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