Data quality metrics extracted from 1pq7.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": "60ebd014fd00c74996fe0b2a94e7828e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 32.869,
    "b": 37.022,
    "c": 39.780,
    "alpha": 102.89,
    "beta": 104.59,
    "gamma": 102.37
  },
  "wavelengths": [0.81100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,0.80],
    "number_observations_unique": 165919,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 15
      },
      {
        "type": "Completeness",
        "value": 92.7
      },
      {
        "type": "Redundancy",
        "value": 4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.81,0.80],
      "number_observations_unique": 3430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.162
        },
        {
          "type": "I/SigI",
          "value": 6.2
        },
        {
          "type": "Completeness",
          "value": 73
        },
        {
          "type": "Redundancy",
          "value": 4
        }
      ]
    }
  ]

}
  

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


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