Data quality metrics extracted from 5f8k.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": "e9c2af1a797ef4d6923e3ece3f610b2f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 209.96,
    "b": 450.13,
    "c": 622.82,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.6250,2.800],
    "number_observations": 11868574,
    "number_observations_unique": 1422951,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.512
      },
      {
        "type": "R(meas)",
        "value": 0.545
      },
      {
        "type": "I/SigI",
        "value": 5.710
      },
      {
        "type": "Completeness",
        "value": 99.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.970,2.800],
      "number_observations": 1812115,
      "number_observations_unique": 223820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.339
        },
        {
          "type": "R(meas)",
          "value": 2.496
        },
        {
          "type": "I/SigI",
          "value": 0.960
        },
        {
          "type": "Completeness",
          "value": 97.600
        }
      ]
    },
    {
      "resolution_limits": [3.170,2.970],
      "number_observations": 1821374,
      "number_observations_unique": 215820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.349
        },
        {
          "type": "R(meas)",
          "value": 1.436
        },
        {
          "type": "I/SigI",
          "value": 1.850
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.430,3.170],
      "number_observations": 1696589,
      "number_observations_unique": 200911,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.863
        },
        {
          "type": "R(meas)",
          "value": 0.918
        },
        {
          "type": "I/SigI",
          "value": 3.080
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.750,3.430],
      "number_observations": 1563337,
      "number_observations_unique": 185274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.629
        },
        {
          "type": "R(meas)",
          "value": 0.670
        },
        {
          "type": "I/SigI",
          "value": 4.360
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.190,3.750],
      "number_observations": 1414542,
      "number_observations_unique": 167836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.443
        },
        {
          "type": "R(meas)",
          "value": 0.472
        },
        {
          "type": "I/SigI",
          "value": 6.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.830,4.190],
      "number_observations": 1247082,
      "number_observations_unique": 148470,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.322
        },
        {
          "type": "R(meas)",
          "value": 0.343
        },
        {
          "type": "I/SigI",
          "value": 8.480
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.910,4.830],
      "number_observations": 1052782,
      "number_observations_unique": 126043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.248
        },
        {
          "type": "R(meas)",
          "value": 0.264
        },
        {
          "type": "I/SigI",
          "value": 10.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [8.290,5.910],
      "number_observations": 801593,
      "number_observations_unique": 98266,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.195
        },
        {
          "type": "R(meas)",
          "value": 0.208
        },
        {
          "type": "I/SigI",
          "value": 12.020
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [48.6250,8.290],
      "number_observations": 459160,
      "number_observations_unique": 56511,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 22.600
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    }
  ]

}
  

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


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