Data quality metrics extracted from 6jpe.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": "a5f54c67a34161684f9b44bd3ea851af",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.502,
    "b": 61.126,
    "c": 61.412,
    "alpha": 90.0,
    "beta": 99.1,
    "gamma": 90.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.89,1.60],
    "number_observations_unique": 40751,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07494
      },
      {
        "type": "R(meas)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 16.46
      },
      {
        "type": "Completeness",
        "value": 99.45
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.658,1.601],
      "number_observations_unique": 4092,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2545
        },
        {
          "type": "I/SigI",
          "value": 5.50
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    }
  ]

}
  

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


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