Data quality metrics extracted from 6m4y.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": "e3f6703d2a7e4fa326c0b2c314f0c73b",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 98.44,
    "b": 98.44,
    "c": 121.70,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.270,2.100],
    "number_observations_unique": 35618,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.208
      },
      {
        "type": "R(meas)",
        "value": 0.212
      },
      {
        "type": "R(pim)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 16.700
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 26.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.160,2.100],
      "number_observations_unique": 2856,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.202
        },
        {
          "type": "R(meas)",
          "value": 1.226
        },
        {
          "type": "R(pim)",
          "value": 0.240
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.851
        }
      ]
    }
  ]

}
  

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


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