Data quality metrics extracted from 1xp1.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": "060841226b72dc7b0826fbb7329d1cdd",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 58.62,
    "b": 58.62,
    "c": 276.79,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99.900,1.800],
    "number_observations_unique": 27355,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0932
      },
      {
        "type": "I/SigI",
        "value": 37.1580
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 20.594
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.91,1.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6042
        },
        {
          "type": "I/SigI",
          "value": 2.052
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 13.74
        }
      ]
    }
  ]

}
  

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


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