Data quality metrics extracted from 6we4.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": "0fa7d00c48d0f3f7bf6dd5f9f7ae13a8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 40.107,
    "b": 67.109,
    "c": 144.832,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.07820],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [72.42,1.600],
    "number_observations_unique": 52466,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.070
      },
      {
        "type": "R(meas)",
        "value": 0.073
      },
      {
        "type": "R(pim)",
        "value": 0.020
      },
      {
        "type": "I/SigI",
        "value": 14.200
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 13.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.640,1.600],
      "number_observations_unique": 3801,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.026
        },
        {
          "type": "R(pim)",
          "value": 0.287
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    }
  ]

}
  

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


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