Data quality metrics extracted from 5slq.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": "bbeeb1f16d619a80c879a06473ae37dd",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.795,
    "b": 68.648,
    "c": 138.407,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91788],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [138.470,2.110],
    "number_observations": 255770,
    "number_observations_unique": 37830,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.406
      },
      {
        "type": "R(meas)",
        "value": 0.439
      },
      {
        "type": "R(pim)",
        "value": 0.167
      },
      {
        "type": "I/SigI",
        "value": 5.400
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 6.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.975
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.180,2.110],
      "number_observations": 22411,
      "number_observations_unique": 3180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.637
        },
        {
          "type": "R(meas)",
          "value": 5.002
        },
        {
          "type": "R(pim)",
          "value": 1.862
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.268
        }
      ]
    },
    {
      "resolution_limits": [138.470,8.710],
      "number_observations": 3605,
      "number_observations_unique": 640,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "R(pim)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 35.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.931
        }
      ]
    }
  ]

}
  

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


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