Data quality metrics extracted from 7zlp.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": "16f32c6cf5d5ea21709dabcad8910112",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 56.153,
    "b": 52.282,
    "c": 77.453,
    "alpha": 90.000,
    "beta": 108.447,
    "gamma": 90.000
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.28,1.94],
    "number_observations_unique": 31861,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.196
      },
      {
        "type": "R(meas)",
        "value": 0.214
      },
      {
        "type": "R(pim)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 6.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.99,1.94],
      "number_observations_unique": 2327,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.082
        }
      ]
    }
  ]

}
  

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


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