Data quality metrics extracted from 5q6b.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": "6ab0fb0716f16889cd86d2511938bedb",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 51.562,
    "b": 57.184,
    "c": 114.827,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [114.830,2.620],
    "number_observations": 67149,
    "number_observations_unique": 10771,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.284
      },
      {
        "type": "R(meas)",
        "value": 0.309
      },
      {
        "type": "R(pim)",
        "value": 0.121
      },
      {
        "type": "I/SigI",
        "value": 8.500
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.760,2.620],
      "number_observations": 10003,
      "number_observations_unique": 1520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.391
        },
        {
          "type": "R(meas)",
          "value": 1.509
        },
        {
          "type": "R(pim)",
          "value": 0.580
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.582
        }
      ]
    },
    {
      "resolution_limits": [114.830,8.270],
      "number_observations": 2306,
      "number_observations_unique": 407,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "R(pim)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 18.900
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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