Data quality metrics extracted from 3c8w.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": "9e00901a3a50e4ed15b05c51fb0be795",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 104.10,
    "b": 104.10,
    "c": 189.64,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91837,0.97901],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.683,1.60],
    "number_observations_unique": 142031,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 11.270
      },
      {
        "type": "Completeness",
        "value": 80.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.60],
      "number_observations": 37600,
      "number_observations_unique": 20973,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.622
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 66.30
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.66],
      "number_observations": 48607,
      "number_observations_unique": 19568,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.580
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 71.30
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.72],
      "number_observations": 80264,
      "number_observations_unique": 25102,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.510
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 80.50
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.80],
      "number_observations": 87996,
      "number_observations_unique": 26597,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.398
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 83.20
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.90],
      "number_observations": 84050,
      "number_observations_unique": 25376,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.273
        },
        {
          "type": "I/SigI",
          "value": 4.5
        },
        {
          "type": "Completeness",
          "value": 83.60
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.02],
      "number_observations": 81451,
      "number_observations_unique": 24555,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "I/SigI",
          "value": 6.3
        },
        {
          "type": "Completeness",
          "value": 84.00
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.17],
      "number_observations": 85169,
      "number_observations_unique": 25700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 9.1
        },
        {
          "type": "Completeness",
          "value": 84.20
        }
      ]
    },
    {
      "resolution_limits": [2.73,2.39],
      "number_observations": 84202,
      "number_observations_unique": 25395,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 13.0
        },
        {
          "type": "Completeness",
          "value": 84.60
        }
      ]
    },
    {
      "resolution_limits": [3.44,2.73],
      "number_observations": 86071,
      "number_observations_unique": 25973,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 23.4
        },
        {
          "type": "Completeness",
          "value": 84.90
        }
      ]
    },
    {
      "resolution_limits": [29.683,3.44],
      "number_observations": 85703,
      "number_observations_unique": 26005,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 43.1
        },
        {
          "type": "Completeness",
          "value": 85.00
        }
      ]
    }
  ]

}
  

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


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