Data quality metrics extracted from 7pmm.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": "b9d08cce0d474eda8f5864c5cc9fbd1d",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 169.69,
    "b": 169.69,
    "c": 111.99,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.39,3],
    "number_observations_unique": 33298,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1208
      },
      {
        "type": "R(meas)",
        "value": 0.1225
      },
      {
        "type": "R(pim)",
        "value": 0.0200
      },
      {
        "type": "I/SigI",
        "value": 24.34
      },
      {
        "type": "Completeness",
        "value": 99.92
      },
      {
        "type": "Redundancy",
        "value": 36.15
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.107,3],
      "number_observations_unique": 3268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.043
        },
        {
          "type": "R(pim)",
          "value": 0.27
        },
        {
          "type": "I/SigI",
          "value": 3.11
        },
        {
          "type": "Completeness",
          "value": 99.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.913
        }
      ]
    }
  ]

}
  

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


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