Data quality metrics extracted from 7pbe.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": "d53c5ee31a17467f30c57371858a3817",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 229.24,
    "b": 46.45,
    "c": 184.72,
    "alpha": 90.00,
    "beta": 96.75,
    "gamma": 90.00
  },
  "wavelengths": [0.91808],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [113.830,2.680],
    "number_observations": 212580,
    "number_observations_unique": 55107,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.133
      },
      {
        "type": "R(meas)",
        "value": 0.155
      },
      {
        "type": "R(pim)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 6.300
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 3.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.750,2.680],
      "number_observations": 16291,
      "number_observations_unique": 4049,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.489
        },
        {
          "type": "R(meas)",
          "value": 4.031
        },
        {
          "type": "R(pim)",
          "value": 1.997
        },
        {
          "type": "I/SigI",
          "value": 0.300
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.441
        }
      ]
    },
    {
      "resolution_limits": [113.830,11.990],
      "number_observations": 2414,
      "number_observations_unique": 692,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "R(pim)",
          "value": 0.016
        },
        {
          "type": "I/SigI",
          "value": 29.900
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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