Data quality metrics extracted from 8dhe.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": "7ce91dd0a8d24fcd903f132a1c00b2ca",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 100.442,
    "b": 139.647,
    "c": 109.821,
    "alpha": 90.0,
    "beta": 94.5,
    "gamma": 90.0
  },
  "wavelengths": [1.03318],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [109.480,2.200],
    "number_observations": 288354,
    "number_observations_unique": 147811,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "R(meas)",
        "value": 0.129
      },
      {
        "type": "R(pim)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 4.600
      },
      {
        "type": "Completeness",
        "value": 96.900
      },
      {
        "type": "Redundancy",
        "value": 2.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.240,2.200],
      "number_observations": 13608,
      "number_observations_unique": 7206,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.662
        },
        {
          "type": "R(meas)",
          "value": 0.900
        },
        {
          "type": "R(pim)",
          "value": 0.606
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 95.800
        },
        {
          "type": "Redundancy",
          "value": 1.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.591
        }
      ]
    },
    {
      "resolution_limits": [109.480,12.050],
      "number_observations": 1786,
      "number_observations_unique": 948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.016
        },
        {
          "type": "R(meas)",
          "value": 0.022
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 18.100
        },
        {
          "type": "Completeness",
          "value": 96.800
        },
        {
          "type": "Redundancy",
          "value": 1.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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