Data quality metrics extracted from 2o08.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": "56b5c40b1c25df382fd6c0849f2ced0f",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 86.83,
    "b": 166.51,
    "c": 73.41,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00002,0.97942,0.97921,0.94645],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.880,1.900],
    "number_observations_unique": 41676,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 10.480
      },
      {
        "type": "Completeness",
        "value": 93.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "number_observations": 13215,
      "number_observations_unique": 6555,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.518
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 78.90
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.97],
      "number_observations": 15129,
      "number_observations_unique": 7129,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.41
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 86.70
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.05],
      "number_observations": 15122,
      "number_observations_unique": 7046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.311
        },
        {
          "type": "I/SigI",
          "value": 3.8
        },
        {
          "type": "Completeness",
          "value": 90.30
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.14],
      "number_observations": 19017,
      "number_observations_unique": 7367,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.293
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 93.20
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.25],
      "number_observations": 21499,
      "number_observations_unique": 7700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.242
        },
        {
          "type": "I/SigI",
          "value": 6.1
        },
        {
          "type": "Completeness",
          "value": 95.10
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.39],
      "number_observations": 25727,
      "number_observations_unique": 8070,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "I/SigI",
          "value": 8.3
        },
        {
          "type": "Completeness",
          "value": 96.70
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.58],
      "number_observations": 26960,
      "number_observations_unique": 7950,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "I/SigI",
          "value": 10.9
        },
        {
          "type": "Completeness",
          "value": 97.70
        }
      ]
    },
    {
      "resolution_limits": [3.25,2.84],
      "number_observations": 26610,
      "number_observations_unique": 7936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 14.6
        },
        {
          "type": "Completeness",
          "value": 98.60
        }
      ]
    },
    {
      "resolution_limits": [28.880,3.25],
      "number_observations": 26096,
      "number_observations_unique": 7980,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 21.5
        },
        {
          "type": "Completeness",
          "value": 99.40
        }
      ]
    }
  ]

}
  

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


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