Data quality metrics extracted from 6pp0.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": "5f409b156dca1a21c4402bef68844064",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 59.071,
    "b": 152.948,
    "c": 109.228,
    "alpha": 90.00,
    "beta": 90.89,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60,1.97],
    "number_observations_unique": 133855,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.176
      },
      {
        "type": "R(pim)",
        "value": 0.068
      },
      {
        "type": "I/SigI",
        "value": 7.0
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 7.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.955
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.97],
      "number_observations_unique": 6325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.154
        },
        {
          "type": "R(pim)",
          "value": 2.440
        },
        {
          "type": "I/SigI",
          "value": 0.3
        },
        {
          "type": "Completeness",
          "value": 94.5
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.203
        }
      ]
    }
  ]

}
  

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


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