Data quality metrics extracted from 6ywl.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": "f1857312ccd222809535551af380dc08",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 38.395,
    "b": 111.922,
    "c": 195.333,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00003],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.830,2.500],
    "number_observations_unique": 30002,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.199
      },
      {
        "type": "R(meas)",
        "value": 0.235
      },
      {
        "type": "R(pim)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 6.900
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 5.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.640,2.500],
      "number_observations_unique": 4288,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.930
        },
        {
          "type": "R(meas)",
          "value": 1.102
        },
        {
          "type": "R(pim)",
          "value": 0.438
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.736
        }
      ]
    },
    {
      "resolution_limits": [48.830,7.910],
      "number_observations_unique": 1084,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 5.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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