Data quality metrics extracted from 4ogk.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": "45ccc4e9880891f1381aaf302e0f5ce5",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 89.97,
    "b": 89.97,
    "c": 256.56,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.400],
    "number_observations_unique": 45188,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 16.33
      },
      {
        "type": "Completeness",
        "value": 99.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.550,2.400],
      "number_observations": 19434,
      "number_observations_unique": 3900,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.38
        },
        {
          "type": "Completeness",
          "value": 99.100
        }
      ]
    },
    {
      "resolution_limits": [2.720,2.550],
      "number_observations": 14943,
      "number_observations_unique": 2968,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.65
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.930,2.720],
      "number_observations": 13715,
      "number_observations_unique": 2711,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 6.36
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.210,2.930],
      "number_observations": 13006,
      "number_observations_unique": 2551,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 10.23
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.570,3.210],
      "number_observations": 22707,
      "number_observations_unique": 4437,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 18.44
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [4.100,3.570],
      "number_observations": 19753,
      "number_observations_unique": 3832,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 28.93
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.970,4.100],
      "number_observations": 17216,
      "number_observations_unique": 3337,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 38.16
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [6.810,4.970],
      "number_observations": 14803,
      "number_observations_unique": 2861,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 39.29
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [20.000,6.810],
      "number_observations": 12937,
      "number_observations_unique": 2493,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 45.19
        },
        {
          "type": "Completeness",
          "value": 95.000
        }
      ]
    }
  ]

}
  

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


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