Data quality metrics extracted from 7u5a.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": "679815d3d378f99bb1322e3603118e74",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 106.401,
    "b": 106.401,
    "c": 159.643,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.65,2.500],
    "number_observations_unique": 32478,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.290
      },
      {
        "type": "R(meas)",
        "value": 0.296
      },
      {
        "type": "R(pim)",
        "value": 0.057
      },
      {
        "type": "I/SigI",
        "value": 12.800
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 26.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.600,2.500],
      "number_observations": 86368,
      "number_observations_unique": 3602,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.523
        },
        {
          "type": "R(meas)",
          "value": 5.641
        },
        {
          "type": "R(pim)",
          "value": 1.138
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.445
        }
      ]
    },
    {
      "resolution_limits": [37.620,9.010],
      "number_observations": 17762,
      "number_observations_unique": 810,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "R(pim)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 45.500
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 21.900
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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