Data quality metrics extracted from 5s8r.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": "be22d013ffe97c7e2b3b415111727f71",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 81.572,
    "b": 27.137,
    "c": 55.947,
    "alpha": 90.00,
    "beta": 100.14,
    "gamma": 90.00
  },
  "wavelengths": [0.91590],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.074,1.222],
    "number_observations": 74208,
    "number_observations_unique": 26004,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.029
      },
      {
        "type": "R(pim)",
        "value": 0.016
      },
      {
        "type": "I/SigI",
        "value": 17.800
      },
      {
        "type": "Completeness",
        "value": 90.600
      },
      {
        "type": "Redundancy",
        "value": 2.900
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.351,1.222],
      "number_observations": 2128,
      "number_observations_unique": 1302,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.670
        },
        {
          "type": "R(pim)",
          "value": 0.449
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 48.800
        },
        {
          "type": "Redundancy",
          "value": 1.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.651
        }
      ]
    },
    {
      "resolution_limits": [55.074,3.768],
      "number_observations": 4110,
      "number_observations_unique": 1300,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.016
        },
        {
          "type": "R(pim)",
          "value": 0.009
        },
        {
          "type": "I/SigI",
          "value": 65.900
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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