Data quality metrics extracted from 6tlp.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": "0b6e788ce3716bf31bb7eb38796d1f95",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 127.224,
    "b": 127.224,
    "c": 60.881,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91170],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.18,1.93],
    "number_observations_unique": 38226,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.139
      },
      {
        "type": "R(meas)",
        "value": 0.142
      },
      {
        "type": "I/SigI",
        "value": 22.690
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 26.24
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.04,1.93],
      "number_observations_unique": 6054,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.669
        },
        {
          "type": "R(meas)",
          "value": 1.703
        },
        {
          "type": "I/SigI",
          "value": 1.98
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 25.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.807
        }
      ]
    }
  ]

}
  

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


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