Data quality metrics extracted from 6pii.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": "057a9c8dc0cd197683a449b81fcf4a06",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 98.920,
    "b": 63.050,
    "c": 120.436,
    "alpha": 90.00,
    "beta": 93.49,
    "gamma": 90.00
  },
  "wavelengths": [1.00802],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.4,1.87],
    "number_observations_unique": 119947,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.140
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 13.5
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 19.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.87],
      "number_observations_unique": 4833,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.669
        },
        {
          "type": "R(pim)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 80.1
        },
        {
          "type": "Redundancy",
          "value": 7.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.809
        }
      ]
    }
  ]

}
  

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


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