Data quality metrics extracted from 4v9d.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": "2305e10d7ef7ea4098f9c08e78a19032",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 211.67,
    "b": 438.07,
    "c": 613.42,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.10000,0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,3.000],
    "number_observations_unique": 938380,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.194
      },
      {
        "type": "I/SigI",
        "value": 7.380
      },
      {
        "type": "Completeness",
        "value": 83.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.160,3.000],
      "number_observations": 179047,
      "number_observations_unique": 70192,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.816
        },
        {
          "type": "I/SigI",
          "value": 1.180
        },
        {
          "type": "Completeness",
          "value": 43.500
        }
      ]
    },
    {
      "resolution_limits": [3.350,3.160],
      "number_observations": 330359,
      "number_observations_unique": 101586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.577
        },
        {
          "type": "I/SigI",
          "value": 1.830
        },
        {
          "type": "Completeness",
          "value": 66.100
        }
      ]
    },
    {
      "resolution_limits": [3.590,3.350],
      "number_observations": 414538,
      "number_observations_unique": 120644,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.417
        },
        {
          "type": "I/SigI",
          "value": 2.530
        },
        {
          "type": "Completeness",
          "value": 80.000
        }
      ]
    },
    {
      "resolution_limits": [3.870,3.590],
      "number_observations": 487554,
      "number_observations_unique": 121950,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.339
        },
        {
          "type": "I/SigI",
          "value": 3.690
        },
        {
          "type": "Completeness",
          "value": 92.500
        }
      ]
    },
    {
      "resolution_limits": [4.240,3.870],
      "number_observations": 672674,
      "number_observations_unique": 123512,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.323
        },
        {
          "type": "I/SigI",
          "value": 5.430
        },
        {
          "type": "Completeness",
          "value": 98.600
        }
      ]
    },
    {
      "resolution_limits": [4.740,4.240],
      "number_observations": 721356,
      "number_observations_unique": 112701,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.267
        },
        {
          "type": "I/SigI",
          "value": 7.820
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [5.480,4.740],
      "number_observations": 688566,
      "number_observations_unique": 100811,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.215
        },
        {
          "type": "I/SigI",
          "value": 10.580
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [6.700,5.480],
      "number_observations": 599146,
      "number_observations_unique": 83934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.180
        },
        {
          "type": "I/SigI",
          "value": 12.870
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [9.500,6.700],
      "number_observations": 514988,
      "number_observations_unique": 66365,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 17.860
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [40,9.500],
      "number_observations": 366825,
      "number_observations_unique": 36685,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 27.850
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    }
  ]

}
  

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


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