Data quality metrics extracted from 3of4.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": "475281817df82cb8a8953e11934d878d",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 154.702,
    "b": 74.051,
    "c": 64.565,
    "alpha": 90.00,
    "beta": 112.49,
    "gamma": 90.00
  },
  "wavelengths": [0.91837,0.97920,0.97889],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.197,1.90],
    "number_observations_unique": 52053,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.040
      },
      {
        "type": "I/SigI",
        "value": 11.760
      },
      {
        "type": "Completeness",
        "value": 91.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.970,1.900],
      "number_observations": 11111,
      "number_observations_unique": 9387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.354
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 87.900
        }
      ]
    },
    {
      "resolution_limits": [2.050,1.970],
      "number_observations": 11207,
      "number_observations_unique": 9509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.238
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 89.900
        }
      ]
    },
    {
      "resolution_limits": [2.140,2.050],
      "number_observations": 10674,
      "number_observations_unique": 9100,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 90.200
        }
      ]
    },
    {
      "resolution_limits": [2.250,2.140],
      "number_observations": 10870,
      "number_observations_unique": 9270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "I/SigI",
          "value": 4.6
        },
        {
          "type": "Completeness",
          "value": 90.900
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.250],
      "number_observations": 11107,
      "number_observations_unique": 9517,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 6.0
        },
        {
          "type": "Completeness",
          "value": 91.300
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.390],
      "number_observations": 11529,
      "number_observations_unique": 9942,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 7.7
        },
        {
          "type": "Completeness",
          "value": 92.100
        }
      ]
    },
    {
      "resolution_limits": [2.840,2.580],
      "number_observations": 11183,
      "number_observations_unique": 9679,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 10.7
        },
        {
          "type": "Completeness",
          "value": 93.100
        }
      ]
    },
    {
      "resolution_limits": [3.250,2.840],
      "number_observations": 11201,
      "number_observations_unique": 9754,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 16.5
        },
        {
          "type": "Completeness",
          "value": 93.600
        }
      ]
    },
    {
      "resolution_limits": [4.080,3.250],
      "number_observations": 11100,
      "number_observations_unique": 9713,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 27.5
        },
        {
          "type": "Completeness",
          "value": 94.100
        }
      ]
    },
    {
      "resolution_limits": [29.197,4.080],
      "number_observations": 11368,
      "number_observations_unique": 9995,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.014
        },
        {
          "type": "I/SigI",
          "value": 34.8
        },
        {
          "type": "Completeness",
          "value": 94.300
        }
      ]
    }
  ]

}
  

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


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