Data quality metrics extracted from 9bpe.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": "a6332682b72fcbb70ee6bc2f6d52c4b0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.764,
    "b": 83.478,
    "c": 95.558,
    "alpha": 90.00,
    "beta": 91.52,
    "gamma": 90.00
  },
  "wavelengths": [2.00000,4.16000,1.54060],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [14.51,2.3],
    "number_observations_unique": 38362,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.216
      },
      {
        "type": "R(pim)",
        "value": 0.109
      },
      {
        "type": "I/SigI",
        "value": 7.3
      },
      {
        "type": "Completeness",
        "value": 92.5
      },
      {
        "type": "Redundancy",
        "value": 4.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.911
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.37,2.3],
      "number_observations_unique": 3307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "R(pim)",
          "value": 0.141
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Completeness",
          "value": 80.1
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.437
        }
      ]
    },
    {
      "resolution_limits": [2.07,2.0],
      "number_observations_unique": 6207,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.462
        },
        {
          "type": "R(pim)",
          "value": 0.279
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.730
        }
      ]
    }
  ]

}
  

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


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