Data quality metrics extracted from 7uj4.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": "f4e2304811ef5e0bae98e570e5893329",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 69.536,
    "b": 78.040,
    "c": 92.859,
    "alpha": 90.00,
    "beta": 101.36,
    "gamma": 90.00
  },
  "wavelengths": [0.95364],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.91,1.960],
    "number_observations_unique": 69331,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.140
      },
      {
        "type": "R(meas)",
        "value": 0.163
      },
      {
        "type": "R(pim)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 5.900
      },
      {
        "type": "Completeness",
        "value": 98.600
      },
      {
        "type": "Redundancy",
        "value": 3.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.000,1.960],
      "number_observations": 12665,
      "number_observations_unique": 3798,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.576
        },
        {
          "type": "R(meas)",
          "value": 1.861
        },
        {
          "type": "R(pim)",
          "value": 0.972
        },
        {
          "type": "I/SigI",
          "value": 0.600
        },
        {
          "type": "Completeness",
          "value": 84.300
        },
        {
          "type": "Redundancy",
          "value": 3.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.243
        }
      ]
    },
    {
      "resolution_limits": [47.860,9.380],
      "number_observations": 2486,
      "number_observations_unique": 671,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "R(pim)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 26.000
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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