Data quality metrics extracted from 6qlp.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": "0f4e546191cb11c3c4a9b2f7094835de",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 35.782,
    "b": 57.276,
    "c": 62.610,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97650],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.260,1.081],
    "number_observations_unique": 55562,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05591
      },
      {
        "type": "R(meas)",
        "value": 0.06284
      },
      {
        "type": "R(pim)",
        "value": 0.02811
      },
      {
        "type": "I/SigI",
        "value": 12.17
      },
      {
        "type": "Completeness",
        "value": 99.51
      },
      {
        "type": "Redundancy",
        "value": 4.8
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.12,1.081],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.851
        },
        {
          "type": "R(meas)",
          "value": 2.104
        },
        {
          "type": "R(pim)",
          "value": 0.9822
        },
        {
          "type": "CC(1/2)",
          "value": 0.212
        }
      ]
    }
  ]

}
  

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


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