Data quality metrics extracted from 7l4e.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": "843469c05d0553310857c8c31ebca0e6",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 86.95,
    "b": 86.95,
    "c": 114.48,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [86.950,2.000],
    "number_observations": 622935,
    "number_observations_unique": 30391,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.438
      },
      {
        "type": "R(meas)",
        "value": 0.449
      },
      {
        "type": "R(pim)",
        "value": 0.099
      },
      {
        "type": "I/SigI",
        "value": 8.700
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 20.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.050,2.000],
      "number_observations": 41223,
      "number_observations_unique": 2198,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.396
        },
        {
          "type": "R(meas)",
          "value": 4.519
        },
        {
          "type": "R(pim)",
          "value": 1.037
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 18.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.549
        }
      ]
    },
    {
      "resolution_limits": [86.950,8.940],
      "number_observations": 8023,
      "number_observations_unique": 423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "R(meas)",
          "value": 0.119
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 23.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 19.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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