Data quality metrics extracted from 8i6n.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": "fc241dd3b52d429022fbe8d5abb6c0ab",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 65.64,
    "b": 65.64,
    "c": 184.07,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.17,1.999],
    "number_observations_unique": 23492,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.250
      },
      {
        "type": "I/SigI",
        "value": 10.6
      },
      {
        "type": "Completeness",
        "value": 99.67
      },
      {
        "type": "Redundancy",
        "value": 2.23
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.070,1.999],
      "number_observations_unique": 59756,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.250
        }
      ]
    },
    {
      "resolution_limits": [2.153,2.070],
      "number_observations_unique": 53922,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.249
        }
      ]
    },
    {
      "resolution_limits": [2.251,2.153],
      "number_observations_unique": 47970,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.245
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.251],
      "number_observations_unique": 41909,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.241
        }
      ]
    },
    {
      "resolution_limits": [2.518,2.370],
      "number_observations_unique": 35976,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.237
        }
      ]
    },
    {
      "resolution_limits": [2.712,2.518],
      "number_observations_unique": 29935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.233
        }
      ]
    },
    {
      "resolution_limits": [2.985,2.712],
      "number_observations_unique": 23944,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.229
        }
      ]
    },
    {
      "resolution_limits": [3.416,2.985],
      "number_observations_unique": 17985,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.225
        }
      ]
    },
    {
      "resolution_limits": [4.300,3.416],
      "number_observations_unique": 11983,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        }
      ]
    }
  ]

}
  

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


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