Data quality metrics extracted from 6q2a.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": "0ea50cd1809c8532d9159fc76bc28541",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 147.15,
    "b": 147.15,
    "c": 264.80,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.390,2.600],
    "number_observations": 990145,
    "number_observations_unique": 194729,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.241
      },
      {
        "type": "R(meas)",
        "value": 0.269
      },
      {
        "type": "R(pim)",
        "value": 0.119
      },
      {
        "type": "I/SigI",
        "value": 5.500
      },
      {
        "type": "Completeness",
        "value": 98.700
      },
      {
        "type": "Redundancy",
        "value": 5.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.640,2.600],
      "number_observations": 47780,
      "number_observations_unique": 9743,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.611
        },
        {
          "type": "R(meas)",
          "value": 1.807
        },
        {
          "type": "R(pim)",
          "value": 0.814
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.453
        }
      ]
    },
    {
      "resolution_limits": [47.390,14.240],
      "number_observations": 5670,
      "number_observations_unique": 1082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "R(pim)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 10.500
        },
        {
          "type": "Completeness",
          "value": 89.300
        },
        {
          "type": "Redundancy",
          "value": 5.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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