Data quality metrics extracted from 6x0k.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": "83368869c2ae59c12d5368a0be124995",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 105.902,
    "b": 155.044,
    "c": 146.846,
    "alpha": 90.00,
    "beta": 91.01,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [155.040,2.230],
    "number_observations": 1006051,
    "number_observations_unique": 225621,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.209
      },
      {
        "type": "R(meas)",
        "value": 0.239
      },
      {
        "type": "R(pim)",
        "value": 0.113
      },
      {
        "type": "I/SigI",
        "value": 7.800
      },
      {
        "type": "Completeness",
        "value": 97.600
      },
      {
        "type": "Redundancy",
        "value": 4.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.260,2.230],
      "number_observations": 37428,
      "number_observations_unique": 8596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.400
        },
        {
          "type": "R(meas)",
          "value": 1.583
        },
        {
          "type": "R(pim)",
          "value": 0.727
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 75.200
        },
        {
          "type": "Redundancy",
          "value": 4.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.399
        }
      ]
    },
    {
      "resolution_limits": [155.040,12.190],
      "number_observations": 5279,
      "number_observations_unique": 1423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "R(pim)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 27.800
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}
  

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


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