Data quality metrics extracted from 6fph.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": "868852d0e3306b13fcd3d85f0c0f427b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 70.351,
    "b": 53.253,
    "c": 135.844,
    "alpha": 90.000,
    "beta": 103.812,
    "gamma": 90.000
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.39,2.0],
    "number_observations_unique": 66361,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05622
      },
      {
        "type": "R(pim)",
        "value": 0.03601
      },
      {
        "type": "I/SigI",
        "value": 13.72
      },
      {
        "type": "Completeness",
        "value": 99.72
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.071,2.0],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5078
        },
        {
          "type": "R(pim)",
          "value": 0.3209
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 99.92
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.833
        }
      ]
    }
  ]

}
  

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


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