Data quality metrics extracted from 6pal.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": "e560c7c23ce94c7975e8f12de9abb3a1",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 65.675,
    "b": 106.030,
    "c": 126.977,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.726,1.818],
    "number_observations_unique": 80471,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.113
      },
      {
        "type": "R(meas)",
        "value": 0.117
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 14.8
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 13.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.849,1.818],
      "number_observations_unique": 3966,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.479
        },
        {
          "type": "R(meas)",
          "value": 1.560
        },
        {
          "type": "R(pim)",
          "value": 0.490
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.690
        }
      ]
    }
  ]

}
  

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


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